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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
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# of the IUCr Commission on Journals.                                        #
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#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis{4-[(3-phenylallylidene)amino]cyclohexyl}methane trichloromethane solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C31 H38 N2, C H Cl3'
_chemical_formula_sum     'C32 H39 Cl3 N2'
_chemical_formula_iupac     'C31 H38 N2, C H Cl3'
_chemical_formula_weight     558.03
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.7987(6)
_cell_length_b     15.7755(7)
_cell_length_c     17.1014(6)
_cell_angle_alpha     80.427(2)
_cell_angle_beta     85.050(3)
_cell_angle_gamma     78.600(2)
_cell_volume     3072.1(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     21966
_cell_measurement_theta_min     1.76
_cell_measurement_theta_max     27.47
_cell_measurement_temperature     183(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.05
_exptl_crystal_size_mid     0.05
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.206
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1184
_exptl_absorpt_coefficient_mu     0.321
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
;
_diffrn_ambient_temperature     183(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Nonius KappaCCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     21966
_diffrn_reflns_av_R_equivalents     0.0415
_diffrn_reflns_av_sigmaI/netI     0.0919
_diffrn_reflns_theta_min     1.76
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     27.47
_diffrn_measured_fraction_theta_max     0.989
_diffrn_measured_fraction_theta_full     0.989
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -19
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     13946
_reflns_number_gt     7422
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1674
_refine_ls_R_factor_gt     0.0871
_refine_ls_wR_factor_gt     0.1999
_refine_ls_wR_factor_ref     0.2452
_refine_ls_goodness_of_fit_ref     1.025
_refine_ls_restrained_S_all     1.025
_refine_ls_number_reflns     13946
_refine_ls_number_parameters     665
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0937P)²+3.8368P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.194
_refine_diff_density_min     -1.102
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'COLLECT (Nonius, 1998)'
_computing_cell_refinement     'DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction     'DENZO (Otwinowski & Minor, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'XP (Siemens, 1990)'
_computing_publication_material     'XP (Siemens, 1990)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Cl Cl1A -0.20422(15) 0.01123(10) 0.88109(8) 0.0856(5) Uani d . 1 . .
    C C1CA -0.2530(4) -0.0378(3) 0.8091(2) 0.0461(10) Uani d . 1 . .
    H H1CA -0.3003 -0.0812 0.8366 0.055 Uiso calc R 1 . .
    Cl Cl2A -0.13634(11) -0.09314(8) 0.75561(7) 0.0647(3) Uani d . 1 . .
    Cl Cl3A -0.34129(12) 0.04143(8) 0.74472(7) 0.0674(4) Uani d . 1 . .
    C C1CB 0.2011(4) -0.0005(3) 0.8305(2) 0.0515(11) Uani d . 1 . .
    H H1CB 0.1726 -0.0572 0.8411 0.062 Uiso calc PR 0.557(4) A 1
    H H1CC 0.1800 -0.0597 0.8369 0.062 Uiso d PR 0.443(4) A 2
    Cl Cl1B 0.2124(3) 0.03085(18) 0.92234(15) 0.0749(8) Uiso d P 0.557(4) A 1
    Cl Cl2B 0.3314(3) -0.0183(2) 0.7783(2) 0.0935(11) Uiso d P 0.557(4) A 1
    Cl Cl3B 0.0942(2) 0.07801(15) 0.77647(15) 0.0577(7) Uiso d P 0.557(4) A 1
    Cl Cl1 0.1498(5) 0.0370(3) 0.9204(2) 0.0926(13) Uiso d P 0.443(4) A 2
    Cl Cl2 0.3543(3) 0.0038(2) 0.8121(2) 0.0704(11) Uiso d P 0.443(4) A 2
    Cl Cl3 0.1358(3) 0.0609(2) 0.7467(2) 0.0713(10) Uiso d P 0.443(4) A 2
    N N1A -0.1572(3) 0.1952(2) 1.14817(17) 0.0415(8) Uani d . 1 . .
    N N2A -0.3270(3) 0.3467(2) 0.52704(17) 0.0414(8) Uani d . 1 . .
    C C1A -0.1508(3) 0.0981(2) 1.4641(2) 0.0391(9) Uani d . 1 . .
    H H1AA -0.2081 0.0860 1.4341 0.047 Uiso calc R 1 . .
    C C2A -0.1375(4) 0.0566(3) 1.5416(2) 0.0442(9) Uani d . 1 . .
    H H2AA -0.1853 0.0160 1.5643 0.053 Uiso calc R 1 . .
    C C3A -0.0550(4) 0.0741(2) 1.5858(2) 0.0442(10) Uani d . 1 . .
    H H3AA -0.0464 0.0455 1.6390 0.053 Uiso calc R 1 . .
    C C4A 0.0149(4) 0.1326(3) 1.5534(2) 0.0448(10) Uani d . 1 . .
    H H4AA 0.0724 0.1441 1.5838 0.054 Uiso calc R 1 . .
    C C5A 0.0006(4) 0.1748(3) 1.4760(2) 0.0430(9) Uani d . 1 . .
    H H5AA 0.0475 0.2164 1.4542 0.052 Uiso calc R 1 . .
    C C6A -0.0808(3) 0.1577(2) 1.4297(2) 0.0358(8) Uani d . 1 . .
    C C7A -0.0902(3) 0.2015(2) 1.3472(2) 0.0379(8) Uani d . 1 . .
    H H7AA -0.0585 0.2533 1.3343 0.045 Uiso calc R 1 . .
    C C8A -0.1375(3) 0.1781(2) 1.2883(2) 0.0387(9) Uani d . 1 . .
    H H8AA -0.1762 0.1297 1.2992 0.046 Uiso calc R 1 . .
    C C9A -0.1313(3) 0.2245(2) 1.2078(2) 0.0390(9) Uani d . 1 . .
    H H9AA -0.1068 0.2793 1.1993 0.047 Uiso calc R 1 . .
    C C10A -0.1391(3) 0.2465(2) 1.06957(19) 0.0376(8) Uani d . 1 . .
    H H10A -0.1328 0.3070 1.0767 0.045 Uiso calc R 1 . .
    C C11A -0.2413(4) 0.2523(3) 1.0188(2) 0.0454(10) Uani d . 1 . .
    H H11B -0.3132 0.2809 1.0453 0.055 Uiso calc R 1 . .
    H H11C -0.2505 0.1926 1.0131 0.055 Uiso calc R 1 . .
    C C12A -0.2221(4) 0.3047(3) 0.9363(2) 0.0453(10) Uani d . 1 . .
    H H12A -0.2883 0.3061 0.9040 0.054 Uiso calc R 1 . .
    H H12B -0.2196 0.3657 0.9421 0.054 Uiso calc R 1 . .
    C C13A -0.1109(3) 0.2661(2) 0.8933(2) 0.0372(8) Uani d . 1 . .
    H H13B -0.1174 0.2067 0.8832 0.045 Uiso calc R 1 . .
    C C14A -0.0085(3) 0.2565(3) 0.9457(2) 0.0438(9) Uani d . 1 . .
    H H14A 0.0624 0.2263 0.9193 0.053 Uiso calc R 1 . .
    H H14B 0.0039 0.3155 0.9513 0.053 Uiso calc R 1 . .
    C C15A -0.0277(4) 0.2051(3) 1.0286(2) 0.0455(10) Uani d . 1 . .
    H H15A -0.0314 0.1440 1.0239 0.055 Uiso calc R 1 . .
    H H15B 0.0383 0.2038 1.0611 0.055 Uiso calc R 1 . .
    C C16A -0.0882(4) 0.3224(3) 0.8133(2) 0.0423(9) Uani d . 1 . .
    H H16B -0.0105 0.2978 0.7913 0.051 Uiso calc R 1 . .
    H H16C -0.0854 0.3819 0.8236 0.051 Uiso calc R 1 . .
    C C17A -0.1754(4) 0.3311(2) 0.7494(2) 0.0382(9) Uani d . 1 . .
    H H17A -0.2552 0.3469 0.7741 0.046 Uiso calc R 1 . .
    C C18A -0.1677(4) 0.2467(2) 0.7156(2) 0.0409(9) Uani d . 1 . .
    H H18A -0.1846 0.2000 0.7588 0.049 Uiso calc R 1 . .
    H H18B -0.0879 0.2284 0.6934 0.049 Uiso calc R 1 . .
    C C19A -0.2534(3) 0.2583(2) 0.6502(2) 0.0390(9) Uani d . 1 . .
    H H19A -0.2438 0.2030 0.6281 0.047 Uiso calc R 1 . .
    H H19B -0.3334 0.2709 0.6737 0.047 Uiso calc R 1 . .
    C C20A -0.2355(3) 0.3322(2) 0.5832(2) 0.0387(8) Uani d . 1 . .
    H H20A -0.1581 0.3169 0.5551 0.046 Uiso calc R 1 . .
    C C21A -0.2427(4) 0.4169(3) 0.6173(2) 0.0459(10) Uani d . 1 . .
    H H21A -0.2259 0.4638 0.5742 0.055 Uiso calc R 1 . .
    H H21B -0.3221 0.4353 0.6400 0.055 Uiso calc R 1 . .
    C C22A -0.1564(4) 0.4042(3) 0.6818(2) 0.0454(10) Uani d . 1 . .
    H H22C -0.0768 0.3903 0.6579 0.054 Uiso calc R 1 . .
    H H22D -0.1639 0.4595 0.7035 0.054 Uiso calc R 1 . .
    C C23A -0.2978(3) 0.3601(2) 0.4536(2) 0.0377(8) Uani d . 1 . .
    H H23C -0.2181 0.3570 0.4375 0.045 Uiso calc R 1 . .
    C C24A -0.3826(4) 0.3801(2) 0.3935(2) 0.0387(8) Uani d . 1 . .
    H H24A -0.4621 0.3841 0.4101 0.046 Uiso calc R 1 . .
    C C25A -0.3535(4) 0.3931(2) 0.3157(2) 0.0398(9) Uani d . 1 . .
    H H25A -0.2731 0.3876 0.3013 0.048 Uiso calc R 1 . .
    C C26A -0.4314(3) 0.4148(2) 0.2500(2) 0.0361(8) Uani d . 1 . .
    C C27A -0.5512(4) 0.4289(3) 0.2610(2) 0.0432(9) Uani d . 1 . .
    H H27B -0.5856 0.4240 0.3135 0.052 Uiso calc R 1 . .
    C C28A -0.6215(4) 0.4501(3) 0.1973(3) 0.0527(11) Uani d . 1 . .
    H H28A -0.7034 0.4602 0.2061 0.063 Uiso calc R 1 . .
    C C29A -0.5722(4) 0.4565(3) 0.1206(2) 0.0535(11) Uani d . 1 . .
    H H29A -0.6201 0.4709 0.0766 0.064 Uiso calc R 1 . .
    C C30A -0.4547(4) 0.4421(3) 0.1083(2) 0.0565(12) Uani d . 1 . .
    H H30B -0.4211 0.4462 0.0556 0.068 Uiso calc R 1 . .
    C C31A -0.3840(4) 0.4216(3) 0.1719(2) 0.0482(10) Uani d . 1 . .
    H H31A -0.3022 0.4120 0.1623 0.058 Uiso calc R 1 . .
    N N1B 0.3897(3) 0.1944(2) 1.13968(17) 0.0457(8) Uani d . 1 . .
    N N2B 0.1718(3) 0.3737(2) 0.52557(18) 0.0445(8) Uani d . 1 . .
    C C1B 0.3739(4) 0.1107(3) 1.4516(2) 0.0440(9) Uani d . 1 . .
    H H1BA 0.3202 0.1016 1.4168 0.053 Uiso calc R 1 . .
    C C2B 0.3636(4) 0.0788(3) 1.5316(2) 0.0499(10) Uani d . 1 . .
    H H2BA 0.3036 0.0474 1.5514 0.060 Uiso calc R 1 . .
    C C3B 0.4405(4) 0.0923(3) 1.5829(2) 0.0502(11) Uani d . 1 . .
    H H3BA 0.4337 0.0696 1.6378 0.060 Uiso calc R 1 . .
    C C4B 0.5262(4) 0.1384(3) 1.5547(2) 0.0495(11) Uani d . 1 . .
    H H4BA 0.5781 0.1485 1.5901 0.059 Uiso calc R 1 . .
    C C5B 0.5372(4) 0.1703(2) 1.4742(2) 0.0413(9) Uani d . 1 . .
    H H5BA 0.5968 0.2023 1.4550 0.050 Uiso calc R 1 . .
    C C6B 0.4619(3) 0.1561(2) 1.4213(2) 0.0374(8) Uani d . 1 . .
    C C7B 0.4796(3) 0.1887(2) 1.3365(2) 0.0403(9) Uani d . 1 . .
    H H7BA 0.5408 0.2203 1.3220 0.048 Uiso calc R 1 . .
    C C8B 0.4188(4) 0.1786(3) 1.2778(2) 0.0425(9) Uani d . 1 . .
    H H8BA 0.3548 0.1497 1.2909 0.051 Uiso calc R 1 . .
    C C9B 0.4451(4) 0.2094(3) 1.1947(2) 0.0424(9) Uani d . 1 . .
    H H9BA 0.5057 0.2418 1.1810 0.051 Uiso calc R 1 . .
    C C10B 0.4256(3) 0.2249(3) 1.0578(2) 0.0433(9) Uani d . 1 . .
    H H10B 0.4890 0.2587 1.0577 0.052 Uiso calc R 1 . .
    C C11B 0.3236(4) 0.2845(3) 1.0155(2) 0.0495(10) Uani d . 1 . .
    H H11A 0.2963 0.3360 1.0429 0.059 Uiso calc R 1 . .
    H H11D 0.2589 0.2525 1.0176 0.059 Uiso calc R 1 . .
    C C12B 0.3589(4) 0.3152(3) 0.9288(2) 0.0508(10) Uani d . 1 . .
    H H12C 0.2905 0.3515 0.9022 0.061 Uiso calc R 1 . .
    H H12D 0.4179 0.3524 0.9271 0.061 Uiso calc R 1 . .
    C C13B 0.4077(3) 0.2398(3) 0.8834(2) 0.0394(9) Uani d . 1 . .
    H H13A 0.3446 0.2067 0.8804 0.047 Uiso calc R 1 . .
    C C14B 0.5055(4) 0.1779(3) 0.9279(2) 0.0524(11) Uani d . 1 . .
    H H14C 0.5310 0.1261 0.9007 0.063 Uiso calc R 1 . .
    H H14D 0.5722 0.2078 0.9262 0.063 Uiso calc R 1 . .
    C C15B 0.4705(4) 0.1475(3) 1.0142(2) 0.0530(11) Uani d . 1 . .
    H H15C 0.4094 0.1120 1.0163 0.064 Uiso calc R 1 . .
    H H15D 0.5381 0.1100 1.0408 0.064 Uiso calc R 1 . .
    C C16B 0.4499(3) 0.2722(3) 0.7983(2) 0.0411(9) Uani d . 1 . .
    H H16A 0.5036 0.3125 0.8010 0.049 Uiso calc R 1 . .
    H H16D 0.4951 0.2213 0.7756 0.049 Uiso calc R 1 . .
    C C17B 0.3572(3) 0.3192(2) 0.7408(2) 0.0370(8) Uani d . 1 . .
    H H17B 0.3090 0.3689 0.7650 0.044 Uiso calc R 1 . .
    C C18B 0.2778(4) 0.2588(3) 0.7262(2) 0.0447(10) Uani d . 1 . .
    H H18C 0.2339 0.2417 0.7764 0.054 Uiso calc R 1 . .
    H H18D 0.3255 0.2049 0.7099 0.054 Uiso calc R 1 . .
    C C19B 0.1925(4) 0.3011(3) 0.6625(2) 0.0477(10) Uani d . 1 . .
    H H19C 0.1460 0.2582 0.6534 0.057 Uiso calc R 1 . .
    H H19D 0.1390 0.3514 0.6810 0.057 Uiso calc R 1 . .
    C C20B 0.2557(3) 0.3323(2) 0.5850(2) 0.0398(9) Uani d . 1 . .
    H H20B 0.3082 0.2813 0.5655 0.048 Uiso calc R 1 . .
    C C21B 0.3270(4) 0.3984(3) 0.5996(2) 0.0434(9) Uani d . 1 . .
    H H21C 0.3688 0.4189 0.5495 0.052 Uiso calc R 1 . .
    H H21D 0.2749 0.4497 0.6175 0.052 Uiso calc R 1 . .
    C C22B 0.4135(3) 0.3570(3) 0.6623(2) 0.0432(9) Uani d . 1 . .
    H H22A 0.4566 0.4016 0.6723 0.052 Uiso calc R 1 . .
    H H22B 0.4700 0.3096 0.6415 0.052 Uiso calc R 1 . .
    C C23B 0.1876(4) 0.3462(2) 0.4590(2) 0.0416(9) Uani d . 1 . .
    H H23A 0.2504 0.2998 0.4515 0.050 Uiso calc R 1 . .
    C C24B 0.1127(4) 0.3837(3) 0.3941(2) 0.0417(9) Uani d . 1 . .
    H H24B 0.0478 0.4282 0.4025 0.050 Uiso calc R 1 . .
    C C25B 0.1320(3) 0.3576(2) 0.3230(2) 0.0407(9) Uani d . 1 . .
    H H25B 0.1949 0.3105 0.3178 0.049 Uiso calc R 1 . .
    C C26B 0.0667(3) 0.3937(2) 0.2519(2) 0.0357(8) Uani d . 1 . .
    C C27B -0.0348(3) 0.4559(3) 0.2529(2) 0.0424(9) Uani d . 1 . .
    H H27A -0.0656 0.4748 0.3017 0.051 Uiso calc R 1 . .
    C C28B -0.0914(4) 0.4907(3) 0.1841(2) 0.0487(10) Uani d . 1 . .
    H H28B -0.1606 0.5332 0.1859 0.058 Uiso calc R 1 . .
    C C29B -0.0476(4) 0.4638(3) 0.1125(2) 0.0468(10) Uani d . 1 . .
    H H29B -0.0858 0.4886 0.0651 0.056 Uiso calc R 1 . .
    C C30B 0.0510(4) 0.4015(3) 0.1104(2) 0.0461(10) Uani d . 1 . .
    H H30A 0.0806 0.3825 0.0616 0.055 Uiso calc R 1 . .
    C C31B 0.1076(4) 0.3662(3) 0.1794(2) 0.0431(9) Uani d . 1 . .
    H H31B 0.1754 0.3224 0.1773 0.052 Uiso calc R 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Cl1A C1CA . 1.749(4) ?
    C1CA Cl2A . 1.751(4) ?
    C1CA Cl3A . 1.757(4) ?
    C1CA H1CA . 1.0000 ?
    C1CB Cl2B . 1.708(6) ?
    C1CB Cl3 . 1.738(5) ?
    C1CB Cl1B . 1.747(5) ?
    C1CB Cl1 . 1.755(6) ?
    C1CB Cl3B . 1.783(5) ?
    C1CB Cl2 . 1.821(6) ?
    C1CB H1CB . 1.0000 ?
    C1CB H1CC . 1.0001 ?
    N1A C9A . 1.270(5) ?
    N1A C10A . 1.471(4) ?
    N2A C23A . 1.268(5) ?
    N2A C20A . 1.467(4) ?
    C1A C2A . 1.384(5) ?
    C1A C6A . 1.396(5) ?
    C1A H1AA . 0.9500 ?
    C2A C3A . 1.377(5) ?
    C2A H2AA . 0.9500 ?
    C3A C4A . 1.376(6) ?
    C3A H3AA . 0.9500 ?
    C4A C5A . 1.387(5) ?
    C4A H4AA . 0.9500 ?
    C5A C6A . 1.388(5) ?
    C5A H5AA . 0.9500 ?
    C6A C7A . 1.467(5) ?
    C7A C8A . 1.328(5) ?
    C7A H7AA . 0.9500 ?
    C8A C9A . 1.451(5) ?
    C8A H8AA . 0.9500 ?
    C9A H9AA . 0.9500 ?
    C10A C15A . 1.516(6) ?
    C10A C11A . 1.526(5) ?
    C10A H10A . 1.0000 ?
    C11A C12A . 1.535(5) ?
    C11A H11B . 0.9900 ?
    C11A H11C . 0.9900 ?
    C12A C13A . 1.516(6) ?
    C12A H12A . 0.9900 ?
    C12A H12B . 0.9900 ?
    C13A C16A . 1.535(5) ?
    C13A C14A . 1.535(5) ?
    C13A H13B . 1.0000 ?
    C14A C15A . 1.535(5) ?
    C14A H14A . 0.9900 ?
    C14A H14B . 0.9900 ?
    C15A H15A . 0.9900 ?
    C15A H15B . 0.9900 ?
    C16A C17A . 1.536(5) ?
    C16A H16B . 0.9900 ?
    C16A H16C . 0.9900 ?
    C17A C18A . 1.520(5) ?
    C17A C22A . 1.527(5) ?
    C17A H17A . 1.0000 ?
    C18A C19A . 1.536(5) ?
    C18A H18A . 0.9900 ?
    C18A H18B . 0.9900 ?
    C19A C20A . 1.526(5) ?
    C19A H19A . 0.9900 ?
    C19A H19B . 0.9900 ?
    C20A C21A . 1.529(5) ?
    C20A H20A . 1.0000 ?
    C21A C22A . 1.527(5) ?
    C21A H21A . 0.9900 ?
    C21A H21B . 0.9900 ?
    C22A H22C . 0.9900 ?
    C22A H22D . 0.9900 ?
    C23A C24A . 1.450(5) ?
    C23A H23C . 0.9500 ?
    C24A C25A . 1.337(5) ?
    C24A H24A . 0.9500 ?
    C25A C26A . 1.466(5) ?
    C25A H25A . 0.9500 ?
    C26A C27A . 1.388(5) ?
    C26A C31A . 1.398(5) ?
    C27A C28A . 1.384(5) ?
    C27A H27B . 0.9500 ?
    C28A C29A . 1.384(6) ?
    C28A H28A . 0.9500 ?
    C29A C30A . 1.363(7) ?
    C29A H29A . 0.9500 ?
    C30A C31A . 1.385(6) ?
    C30A H30B . 0.9500 ?
    C31A H31A . 0.9500 ?
    N1B C9B . 1.269(5) ?
    N1B C10B . 1.459(5) ?
    N2B C23B . 1.271(5) ?
    N2B C20B . 1.462(4) ?
    C1B C2B . 1.380(5) ?
    C1B C6B . 1.391(5) ?
    C1B H1BA . 0.9500 ?
    C2B C3B . 1.384(6) ?
    C2B H2BA . 0.9500 ?
    C3B C4B . 1.368(6) ?
    C3B H3BA . 0.9500 ?
    C4B C5B . 1.389(5) ?
    C4B H4BA . 0.9500 ?
    C5B C6B . 1.394(5) ?
    C5B H5BA . 0.9500 ?
    C6B C7B . 1.468(5) ?
    C7B C8B . 1.330(5) ?
    C7B H7BA . 0.9500 ?
    C8B C9B . 1.452(5) ?
    C8B H8BA . 0.9500 ?
    C9B H9BA . 0.9500 ?
    C10B C15B . 1.519(6) ?
    C10B C11B . 1.528(6) ?
    C10B H10B . 1.0000 ?
    C11B C12B . 1.530(5) ?
    C11B H11A . 0.9900 ?
    C11B H11D . 0.9900 ?
    C12B C13B . 1.519(6) ?
    C12B H12C . 0.9900 ?
    C12B H12D . 0.9900 ?
    C13B C14B . 1.525(5) ?
    C13B C16B . 1.535(5) ?
    C13B H13A . 1.0000 ?
    C14B C15B . 1.521(5) ?
    C14B H14C . 0.9900 ?
    C14B H14D . 0.9900 ?
    C15B H15C . 0.9900 ?
    C15B H15D . 0.9900 ?
    C16B C17B . 1.528(5) ?
    C16B H16A . 0.9900 ?
    C16B H16D . 0.9900 ?
    C17B C18B . 1.524(5) ?
    C17B C22B . 1.528(5) ?
    C17B H17B . 1.0000 ?
    C18B C19B . 1.525(5) ?
    C18B H18C . 0.9900 ?
    C18B H18D . 0.9900 ?
    C19B C20B . 1.520(5) ?
    C19B H19C . 0.9900 ?
    C19B H19D . 0.9900 ?
    C20B C21B . 1.526(5) ?
    C20B H20B . 1.0000 ?
    C21B C22B . 1.520(5) ?
    C21B H21C . 0.9900 ?
    C21B H21D . 0.9900 ?
    C22B H22A . 0.9900 ?
    C22B H22B . 0.9900 ?
    C23B C24B . 1.452(5) ?
    C23B H23A . 0.9500 ?
    C24B C25B . 1.334(5) ?
    C24B H24B . 0.9500 ?
    C25B C26B . 1.468(5) ?
    C25B H25B . 0.9500 ?
    C26B C27B . 1.391(5) ?
    C26B C31B . 1.397(5) ?
    C27B C28B . 1.381(5) ?
    C27B H27A . 0.9500 ?
    C28B C29B . 1.386(6) ?
    C28B H28B . 0.9500 ?
    C29B C30B . 1.368(6) ?
    C29B H29B . 0.9500 ?
    C30B C31B . 1.384(5) ?
    C30B H30A . 0.9500 ?
    C31B H31B . 0.9500 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Cl1A C1CA Cl2A . . 110.9(2) ?
    Cl1A C1CA Cl3A . . 110.1(2) ?
    Cl2A C1CA Cl3A . . 110.5(2) ?
    Cl1A C1CA H1CA . . 108.4 ?
    Cl2A C1CA H1CA . . 108.4 ?
    Cl3A C1CA H1CA . . 108.4 ?
    Cl2B C1CB Cl3 . . 90.9(3) ?
    Cl2B C1CB Cl1B . . 112.5(3) ?
    Cl3 C1CB Cl1B . . 129.0(3) ?
    Cl2B C1CB Cl1 . . 136.2(3) ?
    Cl3 C1CB Cl1 . . 115.0(3) ?
    Cl1B C1CB Cl1 . . 24.00(16) ?
    Cl2B C1CB Cl3B . . 112.8(3) ?
    Cl3 C1CB Cl3B . . 23.67(13) ?
    Cl1B C1CB Cl3B . . 109.3(3) ?
    Cl1 C1CB Cl3B . . 92.1(3) ?
    Cl2B C1CB Cl2 . . 26.34(14) ?
    Cl3 C1CB Cl2 . . 104.8(3) ?
    Cl1B C1CB Cl2 . . 86.5(2) ?
    Cl1 C1CB Cl2 . . 109.9(3) ?
    Cl3B C1CB Cl2 . . 120.8(3) ?
    Cl2B C1CB H1CB . . 107.3 ?
    Cl3 C1CB H1CB . . 107.6 ?
    Cl1B C1CB H1CB . . 107.3 ?
    Cl1 C1CB H1CB . . 98.0 ?
    Cl3B C1CB H1CB . . 107.3 ?
    Cl2 C1CB H1CB . . 121.9 ?
    Cl2B C1CB H1CC . . 100.9 ?
    Cl3 C1CB H1CC . . 107.1 ?
    Cl1B C1CB H1CC . . 111.5 ?
    Cl1 C1CB H1CC . . 103.8 ?
    Cl3B C1CB H1CC . . 109.6 ?
    Cl2 C1CB H1CC . . 116.4 ?
    H1CB C1CB H1CC . . 6.5 ?
    C9A N1A C10A . . 116.9(3) ?
    C23A N2A C20A . . 117.5(3) ?
    C2A C1A C6A . . 120.7(3) ?
    C2A C1A H1AA . . 119.7 ?
    C6A C1A H1AA . . 119.7 ?
    C3A C2A C1A . . 120.1(4) ?
    C3A C2A H2AA . . 119.9 ?
    C1A C2A H2AA . . 119.9 ?
    C4A C3A C2A . . 120.4(3) ?
    C4A C3A H3AA . . 119.8 ?
    C2A C3A H3AA . . 119.8 ?
    C3A C4A C5A . . 119.3(4) ?
    C3A C4A H4AA . . 120.3 ?
    C5A C4A H4AA . . 120.3 ?
    C4A C5A C6A . . 121.5(4) ?
    C4A C5A H5AA . . 119.2 ?
    C6A C5A H5AA . . 119.2 ?
    C5A C6A C1A . . 117.9(3) ?
    C5A C6A C7A . . 119.7(3) ?
    C1A C6A C7A . . 122.4(3) ?
    C8A C7A C6A . . 128.3(3) ?
    C8A C7A H7AA . . 115.9 ?
    C6A C7A H7AA . . 115.9 ?
    C7A C8A C9A . . 121.7(3) ?
    C7A C8A H8AA . . 119.2 ?
    C9A C8A H8AA . . 119.2 ?
    N1A C9A C8A . . 123.1(3) ?
    N1A C9A H9AA . . 118.5 ?
    C8A C9A H9AA . . 118.5 ?
    N1A C10A C15A . . 110.0(3) ?
    N1A C10A C11A . . 110.4(3) ?
    C15A C10A C11A . . 110.2(3) ?
    N1A C10A H10A . . 108.8 ?
    C15A C10A H10A . . 108.8 ?
    C11A C10A H10A . . 108.8 ?
    C10A C11A C12A . . 110.6(3) ?
    C10A C11A H11B . . 109.5 ?
    C12A C11A H11B . . 109.5 ?
    C10A C11A H11C . . 109.5 ?
    C12A C11A H11C . . 109.5 ?
    H11B C11A H11C . . 108.1 ?
    C13A C12A C11A . . 112.4(3) ?
    C13A C12A H12A . . 109.1 ?
    C11A C12A H12A . . 109.1 ?
    C13A C12A H12B . . 109.1 ?
    C11A C12A H12B . . 109.1 ?
    H12A C12A H12B . . 107.9 ?
    C12A C13A C16A . . 112.0(3) ?
    C12A C13A C14A . . 109.7(3) ?
    C16A C13A C14A . . 109.5(3) ?
    C12A C13A H13B . . 108.5 ?
    C16A C13A H13B . . 108.5 ?
    C14A C13A H13B . . 108.5 ?
    C15A C14A C13A . . 112.6(3) ?
    C15A C14A H14A . . 109.1 ?
    C13A C14A H14A . . 109.1 ?
    C15A C14A H14B . . 109.1 ?
    C13A C14A H14B . . 109.1 ?
    H14A C14A H14B . . 107.8 ?
    C10A C15A C14A . . 110.8(3) ?
    C10A C15A H15A . . 109.5 ?
    C14A C15A H15A . . 109.5 ?
    C10A C15A H15B . . 109.5 ?
    C14A C15A H15B . . 109.5 ?
    H15A C15A H15B . . 108.1 ?
    C13A C16A C17A . . 117.0(3) ?
    C13A C16A H16B . . 108.1 ?
    C17A C16A H16B . . 108.1 ?
    C13A C16A H16C . . 108.1 ?
    C17A C16A H16C . . 108.1 ?
    H16B C16A H16C . . 107.3 ?
    C18A C17A C22A . . 109.1(3) ?
    C18A C17A C16A . . 112.7(3) ?
    C22A C17A C16A . . 110.2(3) ?
    C18A C17A H17A . . 108.3 ?
    C22A C17A H17A . . 108.3 ?
    C16A C17A H17A . . 108.3 ?
    C17A C18A C19A . . 111.4(3) ?
    C17A C18A H18A . . 109.3 ?
    C19A C18A H18A . . 109.3 ?
    C17A C18A H18B . . 109.3 ?
    C19A C18A H18B . . 109.3 ?
    H18A C18A H18B . . 108.0 ?
    C20A C19A C18A . . 112.1(3) ?
    C20A C19A H19A . . 109.2 ?
    C18A C19A H19A . . 109.2 ?
    C20A C19A H19B . . 109.2 ?
    C18A C19A H19B . . 109.2 ?
    H19A C19A H19B . . 107.9 ?
    N2A C20A C19A . . 109.8(3) ?
    N2A C20A C21A . . 108.0(3) ?
    C19A C20A C21A . . 109.7(3) ?
    N2A C20A H20A . . 109.8 ?
    C19A C20A H20A . . 109.8 ?
    C21A C20A H20A . . 109.8 ?
    C22A C21A C20A . . 110.8(3) ?
    C22A C21A H21A . . 109.5 ?
    C20A C21A H21A . . 109.5 ?
    C22A C21A H21B . . 109.5 ?
    C20A C21A H21B . . 109.5 ?
    H21A C21A H21B . . 108.1 ?
    C17A C22A C21A . . 112.3(3) ?
    C17A C22A H22C . . 109.1 ?
    C21A C22A H22C . . 109.1 ?
    C17A C22A H22D . . 109.1 ?
    C21A C22A H22D . . 109.1 ?
    H22C C22A H22D . . 107.9 ?
    N2A C23A C24A . . 121.8(4) ?
    N2A C23A H23C . . 119.1 ?
    C24A C23A H23C . . 119.1 ?
    C25A C24A C23A . . 122.8(4) ?
    C25A C24A H24A . . 118.6 ?
    C23A C24A H24A . . 118.6 ?
    C24A C25A C26A . . 127.5(4) ?
    C24A C25A H25A . . 116.2 ?
    C26A C25A H25A . . 116.2 ?
    C27A C26A C31A . . 117.6(3) ?
    C27A C26A C25A . . 123.3(3) ?
    C31A C26A C25A . . 119.1(4) ?
    C28A C27A C26A . . 121.4(4) ?
    C28A C27A H27B . . 119.3 ?
    C26A C27A H27B . . 119.3 ?
    C29A C28A C27A . . 119.7(4) ?
    C29A C28A H28A . . 120.1 ?
    C27A C28A H28A . . 120.1 ?
    C30A C29A C28A . . 119.9(4) ?
    C30A C29A H29A . . 120.0 ?
    C28A C29A H29A . . 120.0 ?
    C29A C30A C31A . . 120.6(4) ?
    C29A C30A H30B . . 119.7 ?
    C31A C30A H30B . . 119.7 ?
    C30A C31A C26A . . 120.8(4) ?
    C30A C31A H31A . . 119.6 ?
    C26A C31A H31A . . 119.6 ?
    C9B N1B C10B . . 118.0(3) ?
    C23B N2B C20B . . 116.4(3) ?
    C2B C1B C6B . . 120.7(4) ?
    C2B C1B H1BA . . 119.7 ?
    C6B C1B H1BA . . 119.7 ?
    C1B C2B C3B . . 120.2(4) ?
    C1B C2B H2BA . . 119.9 ?
    C3B C2B H2BA . . 119.9 ?
    C4B C3B C2B . . 120.1(4) ?
    C4B C3B H3BA . . 120.0 ?
    C2B C3B H3BA . . 120.0 ?
    C3B C4B C5B . . 119.9(4) ?
    C3B C4B H4BA . . 120.0 ?
    C5B C4B H4BA . . 120.0 ?
    C4B C5B C6B . . 120.9(4) ?
    C4B C5B H5BA . . 119.6 ?
    C6B C5B H5BA . . 119.6 ?
    C1B C6B C5B . . 118.2(3) ?
    C1B C6B C7B . . 123.1(3) ?
    C5B C6B C7B . . 118.7(3) ?
    C8B C7B C6B . . 126.8(4) ?
    C8B C7B H7BA . . 116.6 ?
    C6B C7B H7BA . . 116.6 ?
    C7B C8B C9B . . 123.5(4) ?
    C7B C8B H8BA . . 118.2 ?
    C9B C8B H8BA . . 118.2 ?
    N1B C9B C8B . . 122.0(4) ?
    N1B C9B H9BA . . 119.0 ?
    C8B C9B H9BA . . 119.0 ?
    N1B C10B C15B . . 110.1(3) ?
    N1B C10B C11B . . 110.0(3) ?
    C15B C10B C11B . . 109.7(3) ?
    N1B C10B H10B . . 109.0 ?
    C15B C10B H10B . . 109.0 ?
    C11B C10B H10B . . 109.0 ?
    C10B C11B C12B . . 110.7(4) ?
    C10B C11B H11A . . 109.5 ?
    C12B C11B H11A . . 109.5 ?
    C10B C11B H11D . . 109.5 ?
    C12B C11B H11D . . 109.5 ?
    H11A C11B H11D . . 108.1 ?
    C13B C12B C11B . . 112.8(3) ?
    C13B C12B H12C . . 109.0 ?
    C11B C12B H12C . . 109.0 ?
    C13B C12B H12D . . 109.0 ?
    C11B C12B H12D . . 109.0 ?
    H12C C12B H12D . . 107.8 ?
    C12B C13B C14B . . 109.9(3) ?
    C12B C13B C16B . . 111.8(3) ?
    C14B C13B C16B . . 110.6(3) ?
    C12B C13B H13A . . 108.1 ?
    C14B C13B H13A . . 108.1 ?
    C16B C13B H13A . . 108.1 ?
    C15B C14B C13B . . 112.9(4) ?
    C15B C14B H14C . . 109.0 ?
    C13B C14B H14C . . 109.0 ?
    C15B C14B H14D . . 109.0 ?
    C13B C14B H14D . . 109.0 ?
    H14C C14B H14D . . 107.8 ?
    C10B C15B C14B . . 111.0(4) ?
    C10B C15B H15C . . 109.4 ?
    C14B C15B H15C . . 109.4 ?
    C10B C15B H15D . . 109.4 ?
    C14B C15B H15D . . 109.4 ?
    H15C C15B H15D . . 108.0 ?
    C17B C16B C13B . . 116.9(3) ?
    C17B C16B H16A . . 108.1 ?
    C13B C16B H16A . . 108.1 ?
    C17B C16B H16D . . 108.1 ?
    C13B C16B H16D . . 108.1 ?
    H16A C16B H16D . . 107.3 ?
    C18B C17B C16B . . 111.7(3) ?
    C18B C17B C22B . . 110.3(3) ?
    C16B C17B C22B . . 110.3(3) ?
    C18B C17B H17B . . 108.1 ?
    C16B C17B H17B . . 108.1 ?
    C22B C17B H17B . . 108.1 ?
    C17B C18B C19B . . 112.8(3) ?
    C17B C18B H18C . . 109.0 ?
    C19B C18B H18C . . 109.0 ?
    C17B C18B H18D . . 109.0 ?
    C19B C18B H18D . . 109.0 ?
    H18C C18B H18D . . 107.8 ?
    C20B C19B C18B . . 111.0(3) ?
    C20B C19B H19C . . 109.4 ?
    C18B C19B H19C . . 109.4 ?
    C20B C19B H19D . . 109.4 ?
    C18B C19B H19D . . 109.4 ?
    H19C C19B H19D . . 108.0 ?
    N2B C20B C19B . . 109.7(3) ?
    N2B C20B C21B . . 109.5(3) ?
    C19B C20B C21B . . 109.0(3) ?
    N2B C20B H20B . . 109.5 ?
    C19B C20B H20B . . 109.5 ?
    C21B C20B H20B . . 109.5 ?
    C22B C21B C20B . . 110.3(3) ?
    C22B C21B H21C . . 109.6 ?
    C20B C21B H21C . . 109.6 ?
    C22B C21B H21D . . 109.6 ?
    C20B C21B H21D . . 109.6 ?
    H21C C21B H21D . . 108.1 ?
    C21B C22B C17B . . 113.4(3) ?
    C21B C22B H22A . . 108.9 ?
    C17B C22B H22A . . 108.9 ?
    C21B C22B H22B . . 108.9 ?
    C17B C22B H22B . . 108.9 ?
    H22A C22B H22B . . 107.7 ?
    N2B C23B C24B . . 122.0(4) ?
    N2B C23B H23A . . 119.0 ?
    C24B C23B H23A . . 119.0 ?
    C25B C24B C23B . . 122.2(4) ?
    C25B C24B H24B . . 118.9 ?
    C23B C24B H24B . . 118.9 ?
    C24B C25B C26B . . 127.1(4) ?
    C24B C25B H25B . . 116.4 ?
    C26B C25B H25B . . 116.4 ?
    C27B C26B C31B . . 117.7(3) ?
    C27B C26B C25B . . 122.7(3) ?
    C31B C26B C25B . . 119.5(4) ?
    C28B C27B C26B . . 120.9(4) ?
    C28B C27B H27A . . 119.5 ?
    C26B C27B H27A . . 119.5 ?
    C27B C28B C29B . . 120.2(4) ?
    C27B C28B H28B . . 119.9 ?
    C29B C28B H28B . . 119.9 ?
    C30B C29B C28B . . 119.8(4) ?
    C30B C29B H29B . . 120.1 ?
    C28B C29B H29B . . 120.1 ?
    C29B C30B C31B . . 120.1(4) ?
    C29B C30B H30A . . 119.9 ?
    C31B C30B H30A . . 119.9 ?
    C30B C31B C26B . . 121.1(4) ?
    C30B C31B H31B . . 119.4 ?
    C26B C31B H31B . . 119.4 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6A C1A C2A C3A . . . . 0.3(6) ?
    C1A C2A C3A C4A . . . . -0.2(6) ?
    C2A C3A C4A C5A . . . . 0.8(6) ?
    C3A C4A C5A C6A . . . . -1.6(6) ?
    C4A C5A C6A C1A . . . . 1.8(6) ?
    C4A C5A C6A C7A . . . . -177.9(4) ?
    C2A C1A C6A C5A . . . . -1.1(6) ?
    C2A C1A C6A C7A . . . . 178.5(4) ?
    C5A C6A C7A C8A . . . . 160.1(4) ?
    C1A C6A C7A C8A . . . . -19.5(6) ?
    C6A C7A C8A C9A . . . . -174.6(4) ?
    C10A N1A C9A C8A . . . . -175.9(3) ?
    C7A C8A C9A N1A . . . . 167.4(4) ?
    C9A N1A C10A C15A . . . . 100.8(4) ?
    C9A N1A C10A C11A . . . . -137.4(4) ?
    N1A C10A C11A C12A . . . . -179.2(3) ?
    C15A C10A C11A C12A . . . . -57.6(4) ?
    C10A C11A C12A C13A . . . . 57.2(5) ?
    C11A C12A C13A C16A . . . . -176.1(3) ?
    C11A C12A C13A C14A . . . . -54.2(4) ?
    C12A C13A C14A C15A . . . . 53.6(4) ?
    C16A C13A C14A C15A . . . . 176.9(3) ?
    N1A C10A C15A C14A . . . . 178.8(3) ?
    C11A C10A C15A C14A . . . . 56.9(4) ?
    C13A C14A C15A C10A . . . . -55.7(4) ?
    C12A C13A C16A C17A . . . . -64.4(4) ?
    C14A C13A C16A C17A . . . . 173.6(3) ?
    C13A C16A C17A C18A . . . . -70.6(5) ?
    C13A C16A C17A C22A . . . . 167.3(4) ?
    C22A C17A C18A C19A . . . . -55.6(4) ?
    C16A C17A C18A C19A . . . . -178.3(3) ?
    C17A C18A C19A C20A . . . . 56.6(4) ?
    C23A N2A C20A C19A . . . . -138.2(3) ?
    C23A N2A C20A C21A . . . . 102.3(4) ?
    C18A C19A C20A N2A . . . . -173.9(3) ?
    C18A C19A C20A C21A . . . . -55.4(4) ?
    N2A C20A C21A C22A . . . . 175.1(3) ?
    C19A C20A C21A C22A . . . . 55.5(4) ?
    C18A C17A C22A C21A . . . . 57.0(5) ?
    C16A C17A C22A C21A . . . . -178.8(3) ?
    C20A C21A C22A C17A . . . . -57.8(5) ?
    C20A N2A C23A C24A . . . . -176.4(3) ?
    N2A C23A C24A C25A . . . . -178.9(4) ?
    C23A C24A C25A C26A . . . . -179.0(3) ?
    C24A C25A C26A C27A . . . . 3.0(6) ?
    C24A C25A C26A C31A . . . . -176.8(4) ?
    C31A C26A C27A C28A . . . . -0.8(6) ?
    C25A C26A C27A C28A . . . . 179.4(4) ?
    C26A C27A C28A C29A . . . . 0.7(6) ?
    C27A C28A C29A C30A . . . . -0.1(7) ?
    C28A C29A C30A C31A . . . . -0.4(7) ?
    C29A C30A C31A C26A . . . . 0.3(7) ?
    C27A C26A C31A C30A . . . . 0.3(6) ?
    C25A C26A C31A C30A . . . . -179.9(4) ?
    C6B C1B C2B C3B . . . . 0.6(6) ?
    C1B C2B C3B C4B . . . . 0.8(7) ?
    C2B C3B C4B C5B . . . . -1.1(7) ?
    C3B C4B C5B C6B . . . . 0.0(6) ?
    C2B C1B C6B C5B . . . . -1.7(6) ?
    C2B C1B C6B C7B . . . . 177.7(4) ?
    C4B C5B C6B C1B . . . . 1.4(6) ?
    C4B C5B C6B C7B . . . . -178.0(4) ?
    C1B C6B C7B C8B . . . . -1.7(6) ?
    C5B C6B C7B C8B . . . . 177.7(4) ?
    C6B C7B C8B C9B . . . . -177.0(4) ?
    C10B N1B C9B C8B . . . . -177.5(4) ?
    C7B C8B C9B N1B . . . . 175.9(4) ?
    C9B N1B C10B C15B . . . . 115.4(4) ?
    C9B N1B C10B C11B . . . . -123.6(4) ?
    N1B C10B C11B C12B . . . . -178.5(3) ?
    C15B C10B C11B C12B . . . . -57.2(5) ?
    C10B C11B C12B C13B . . . . 56.3(5) ?
    C11B C12B C13B C14B . . . . -53.0(5) ?
    C11B C12B C13B C16B . . . . -176.2(3) ?
    C12B C13B C14B C15B . . . . 53.0(5) ?
    C16B C13B C14B C15B . . . . 176.9(4) ?
    N1B C10B C15B C14B . . . . 178.5(3) ?
    C11B C10B C15B C14B . . . . 57.3(5) ?
    C13B C14B C15B C10B . . . . -56.3(5) ?
    C12B C13B C16B C17B . . . . -69.5(4) ?
    C14B C13B C16B C17B . . . . 167.6(3) ?
    C13B C16B C17B C18B . . . . -63.9(4) ?
    C13B C16B C17B C22B . . . . 173.1(3) ?
    C16B C17B C18B C19B . . . . -174.0(3) ?
    C22B C17B C18B C19B . . . . -50.9(5) ?
    C17B C18B C19B C20B . . . . 56.2(5) ?
    C23B N2B C20B C19B . . . . -128.1(4) ?
    C23B N2B C20B C21B . . . . 112.2(4) ?
    C18B C19B C20B N2B . . . . -179.1(3) ?
    C18B C19B C20B C21B . . . . -59.2(4) ?
    N2B C20B C21B C22B . . . . 179.1(3) ?
    C19B C20B C21B C22B . . . . 59.0(4) ?
    C20B C21B C22B C17B . . . . -56.4(5) ?
    C18B C17B C22B C21B . . . . 51.5(5) ?
    C16B C17B C22B C21B . . . . 175.4(3) ?
    C20B N2B C23B C24B . . . . -178.1(3) ?
    N2B C23B C24B C25B . . . . 177.0(4) ?
    C23B C24B C25B C26B . . . . -176.3(3) ?
    C24B C25B C26B C27B . . . . -7.3(6) ?
    C24B C25B C26B C31B . . . . 171.8(4) ?
    C31B C26B C27B C28B . . . . -1.6(5) ?
    C25B C26B C27B C28B . . . . 177.6(3) ?
    C26B C27B C28B C29B . . . . 0.1(6) ?
    C27B C28B C29B C30B . . . . 1.1(6) ?
    C28B C29B C30B C31B . . . . -0.8(6) ?
    C29B C30B C31B C26B . . . . -0.8(6) ?
    C27B C26B C31B C30B . . . . 1.9(5) ?
    C25B C26B C31B C30B . . . . -177.2(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C1CA H1CA N1B 2_557 1.000 2.213 3.180(10)
                                            161.1 y
    C1CB H1CB N1A 2_557 1.000 2.196 3.170(10)
                                            164.5 y
data_global
_journal_date_recd_electronic     2008-10-22
_journal_date_accepted     2008-11-11
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue     12
_journal_page_first     o2362
_journal_page_last     o2362
_journal_paper_category     QO
_journal_coeditor_code     HG2433
_publ_contact_author_name     'Wolfgang Imhof'
_publ_contact_author_address
;
Institute of Inorganic and Analytical Chemistry
Friedrich Schiller University
August-Bebel-Str. 2
07743 Jena
Germany
;
_publ_contact_author_email     Wolfgang.Imhof@uni-jena.de
_publ_contact_author_fax     '++49-3641-948102'
_publ_contact_author_phone     '++49-3641-948185'
_publ_section_title
;
Bis{4-[(3-phenylallylidene)amino]cyclohexyl}methane trichloromethane solvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Menzel, Roberto'
;
Institute of Inorganic and Analytical Chemistry
Friedrich Schiller University
August-Bebel-Strasse 2
07743 Jena
Germany
;
    'Göbel, Angela'
;
Institute of Inorganic and Analytical Chemistry
Friedrich Schiller University
August-Bebel-Strasse 2
07743 Jena
Germany
;
    'Görls, Helmar'
;
Institute of Inorganic and Analytical Chemistry
Friedrich Schiller University
August-Bebel-Strasse 2
07743 Jena
Germany
;
    'Imhof, Wolfgang'
;
Institute of Inorganic and Analytical Chemistry
Friedrich Schiller University
August-Bebel-Strasse 2
07743 Jena
Germany
;
