##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.3
_journal_date_recd_electronic     2009-10-20
_journal_date_accepted     2009-11-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     12
_journal_page_first     o3081
_journal_page_last     o3081
_journal_paper_category     QO
_journal_coeditor_code     PV2223
_publ_contact_author_name     'Cloete, Nicoline'
_publ_contact_author_address
;
Department of Chemistry
University of the Free State
P.O. Box 339
Bloemfontein
9300
South Africa
;
_publ_contact_author_email     cloeten.sci@ufs.ac.za
_publ_contact_author_fax     '+27-51-444 6384'
_publ_contact_author_phone     '+27-51-401 7035'
_publ_section_title
;
N,N-Bis(diphenylphosphino)ethylamine
;
loop_
    _publ_author_name
    _publ_author_address
    'Cloete, Nicoline'
;
Department of Chemistry
University of the Free State
PO Box 339
Bloemfontein 9300
South Africa
;
    'Visser, Hendrik G.'
;
Department of Chemistry
University of the Free State
PO Box 339
Bloemfontein 9300
South Africa
;
    'Roodt, Andreas'
;
Department of Chemistry
University of the Free State
PO Box 339
Bloemfontein 9300
South Africa
;
    'Gabrielli, William F.'
;
R & D DiVision
Sasol Technology (Pty) Ltd.
1 Klasie Havenga Road
Sasolburg 1947
South Africa
;
data_I
_audit_creation_method     'WinGX routine CIF_UPDATE'
_chemical_name_systematic
;
N,N-Bis(diphenylphosphino)ethylamine
;
_chemical_formula_moiety     'C26 H25 N P2'
_chemical_formula_sum     'C26 H25 N P2'
_chemical_formula_iupac     'C26 H25 N P2'
_chemical_formula_weight     413.44
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/c '
_symmetry_space_group_name_Hall     '-P 2ybc '
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.570(5)
_cell_length_b     13.441(5)
_cell_length_c     16.907(5)
_cell_angle_alpha     90.000
_cell_angle_beta     91.647(5)
_cell_angle_gamma     90.000
_cell_volume     2173.9(15)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     5486
_cell_measurement_theta_min     2.61
_cell_measurement_theta_max     27.85
_cell_measurement_temperature     101(2)
_exptl_crystal_description     needle
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.388
_exptl_crystal_size_mid     0.134
_exptl_crystal_size_min     0.113
_exptl_crystal_density_diffrn     1.263
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     872
_exptl_absorpt_coefficient_mu     0.212
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 2004)'
_exptl_absorpt_correction_T_min     0.964
_exptl_absorpt_correction_T_max     0.975
_diffrn_ambient_temperature     101
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_measurement_device_type
;
Bruker X8 APEXII 4K Kappa CCD
;
_diffrn_measurement_method     'ω and φ'
_diffrn_reflns_number     25117
_diffrn_reflns_av_R_equivalents     0.046
_diffrn_reflns_theta_min     1.94
_diffrn_reflns_theta_max     28.3
_diffrn_reflns_theta_full     28.3
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_reflns_number_total     5401
_reflns_number_gt     4293
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_gt     0.0379
_refine_ls_wR_factor_ref     0.0938
_refine_ls_goodness_of_fit_ref     1.055
_refine_ls_restrained_S_all     1.055
_refine_ls_number_reflns     5401
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0363P)²+0.8849P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max     0
_refine_diff_density_max     0.431
_refine_diff_density_min     -0.26
_refine_ls_extinction_method     none
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 0 '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'
    P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2004)'
_computing_data_reduction     'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_structure_solution     'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement     'SIR97 (Altomare et al.,  1999)'
_computing_molecular_graphics     'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
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
    N N1 0.35096(13) 0.21232(9) 0.71479(7) 0.0155(3) Uani d . 1 . .
    P P1 0.41307(4) 0.09328(3) 0.72417(2) 0.01616(10) Uani d . 1 . .
    P P2 0.29406(4) 0.26318(3) 0.62672(2) 0.01542(10) Uani d . 1 . .
    C C1 0.34840(16) 0.28240(11) 0.78268(8) 0.0177(3) Uani d . 1 . .
    H H1A 0.3953 0.3451 0.7678 0.021 Uiso calc R 1 . .
    H H1B 0.402 0.2532 0.8279 0.021 Uiso calc R 1 . .
    C C2 0.20138(17) 0.30599(14) 0.80843(9) 0.0250(4) Uani d . 1 . .
    H H2A 0.2059 0.3523 0.8532 0.037 Uiso calc R 1 . .
    H H2B 0.1551 0.2445 0.8245 0.037 Uiso calc R 1 . .
    H H2C 0.1483 0.3364 0.7643 0.037 Uiso calc R 1 . .
    C C11 0.32088(16) 0.04094(11) 0.80923(9) 0.0174(3) Uani d . 1 . .
    C C12 0.22044(17) -0.03189(12) 0.79329(9) 0.0201(3) Uani d . 1 . .
    H H12 0.2041 -0.0532 0.7403 0.024 Uiso calc R 1 . .
    C C13 0.14338(17) -0.07416(12) 0.85343(10) 0.0230(3) Uani d . 1 . .
    H H13A 0.0756 -0.1239 0.8413 0.028 Uiso calc R 1 . .
    C C14 0.16600(17) -0.04328(12) 0.93092(9) 0.0234(4) Uani d . 1 . .
    H H14 0.1126 -0.0708 0.972 0.028 Uiso calc R 1 . .
    C C15 0.26699(17) 0.02804(12) 0.94820(9) 0.0231(4) Uani d . 1 . .
    H H15 0.2832 0.0488 1.0014 0.028 Uiso calc R 1 . .
    C C16 0.34485(17) 0.06956(12) 0.88827(9) 0.0206(3) Uani d . 1 . .
    H H16 0.4147 0.1176 0.901 0.025 Uiso calc R 1 . .
    C C21 0.58795(16) 0.11232(11) 0.76925(8) 0.0169(3) Uani d . 1 . .
    C C22 0.65088(16) 0.03565(12) 0.81394(9) 0.0193(3) Uani d . 1 . .
    H H22 0.5985 -0.0224 0.8252 0.023 Uiso calc R 1 . .
    C C23 0.78758(16) 0.04296(12) 0.84186(9) 0.0203(3) Uani d . 1 . .
    H H23 0.8288 -0.0104 0.8711 0.024 Uiso calc R 1 . .
    C C24 0.86469(17) 0.12790(13) 0.82738(9) 0.0215(3) Uani d . 1 . .
    H H24 0.958 0.1337 0.8475 0.026 Uiso calc R 1 . .
    C C25 0.80438(17) 0.20455(12) 0.78320(9) 0.0220(3) Uani d . 1 . .
    H H25 0.8568 0.263 0.7732 0.026 Uiso calc R 1 . .
    C C26 0.66815(16) 0.19654(12) 0.75358(9) 0.0196(3) Uani d . 1 . .
    H H26 0.629 0.2488 0.7223 0.024 Uiso calc R 1 . .
    C C31 0.13695(15) 0.19368(11) 0.59763(8) 0.0167(3) Uani d . 1 . .
    C C32 0.07951(17) 0.20898(13) 0.52136(9) 0.0222(3) Uani d . 1 . .
    H H32 0.1242 0.2531 0.4862 0.027 Uiso calc R 1 . .
    C C33 -0.04139(18) 0.16056(14) 0.49693(10) 0.0279(4) Uani d . 1 . .
    H H33 -0.078 0.1704 0.4447 0.034 Uiso calc R 1 . .
    C C34 -0.10978(18) 0.09766(13) 0.54801(10) 0.0277(4) Uani d . 1 . .
    H H34 -0.1927 0.0642 0.5309 0.033 Uiso calc R 1 . .
    C C35 -0.05620(17) 0.08398(13) 0.62401(10) 0.0248(4) Uani d . 1 . .
    H H35 -0.1032 0.0417 0.6595 0.03 Uiso calc R 1 . .
    C C36 0.06593(16) 0.13174(12) 0.64867(9) 0.0196(3) Uani d . 1 . .
    H H36 0.1015 0.122 0.7011 0.024 Uiso calc R 1 . .
    C C41 0.41629(16) 0.21875(11) 0.55304(8) 0.0161(3) Uani d . 1 . .
    C C42 0.52940(16) 0.28007(12) 0.53709(9) 0.0205(3) Uani d . 1 . .
    H H42 0.5438 0.3394 0.5668 0.025 Uiso calc R 1 . .
    C C43 0.62142(17) 0.25524(13) 0.47801(10) 0.0247(4) Uani d . 1 . .
    H H43 0.6984 0.2974 0.4676 0.03 Uiso calc R 1 . .
    C C44 0.60062(17) 0.16908(13) 0.43447(9) 0.0234(4) Uani d . 1 . .
    H H44 0.6631 0.1524 0.3939 0.028 Uiso calc R 1 . .
    C C45 0.48928(17) 0.10702(12) 0.44978(9) 0.0201(3) Uani d . 1 . .
    H H45 0.4755 0.0477 0.42 0.024 Uiso calc R 1 . .
    C C46 0.39761(16) 0.13181(12) 0.50904(9) 0.0184(3) Uani d . 1 . .
    H H46 0.3214 0.089 0.5196 0.022 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
    N1 C1 . 1.4856(18) ?
    N1 P1 . 1.7127(14) ?
    N1 P2 . 1.7130(13) ?
    P1 C21 . 1.8369(18) ?
    P1 C11 . 1.8478(15) ?
    P2 C31 . 1.8255(17) ?
    P2 C41 . 1.8331(16) ?
    C1 C2 . 1.518(2) ?
    C1 H1A . 0.99 ?
    C1 H1B . 0.99 ?
    C2 H2A . 0.98 ?
    C2 H2B . 0.98 ?
    C2 H2C . 0.98 ?
    C11 C12 . 1.393(2) ?
    C11 C16 . 1.403(2) ?
    C12 C13 . 1.394(2) ?
    C12 H12 . 0.95 ?
    C13 C14 . 1.385(2) ?
    C13 H13A . 0.95 ?
    C14 C15 . 1.386(2) ?
    C14 H14 . 0.95 ?
    C15 C16 . 1.392(2) ?
    C15 H15 . 0.95 ?
    C16 H16 . 0.95 ?
    C21 C26 . 1.397(2) ?
    C21 C22 . 1.403(2) ?
    C22 C23 . 1.382(2) ?
    C22 H22 . 0.95 ?
    C23 C24 . 1.385(2) ?
    C23 H23 . 0.95 ?
    C24 C25 . 1.388(2) ?
    C24 H24 . 0.95 ?
    C25 C26 . 1.387(2) ?
    C25 H25 . 0.95 ?
    C26 H26 . 0.95 ?
    C31 C36 . 1.391(2) ?
    C31 C32 . 1.402(2) ?
    C32 C33 . 1.380(2) ?
    C32 H32 . 0.95 ?
    C33 C34 . 1.386(2) ?
    C33 H33 . 0.95 ?
    C34 C35 . 1.382(2) ?
    C34 H34 . 0.95 ?
    C35 C36 . 1.387(2) ?
    C35 H35 . 0.95 ?
    C36 H36 . 0.95 ?
    C41 C42 . 1.393(2) ?
    C41 C46 . 1.394(2) ?
    C42 C43 . 1.391(2) ?
    C42 H42 . 0.95 ?
    C43 C44 . 1.384(2) ?
    C43 H43 . 0.95 ?
    C44 C45 . 1.383(2) ?
    C44 H44 . 0.95 ?
    C45 C46 . 1.391(2) ?
    C45 H45 . 0.95 ?
    C46 H46 . 0.95 ?
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
    C1 N1 P1 . . 122.29(10) ?
    C1 N1 P2 . . 114.00(10) ?
    P1 N1 P2 . . 123.65(7) ?
    N1 P1 C21 . . 102.58(7) ?
    N1 P1 C11 . . 104.81(7) ?
    C21 P1 C11 . . 100.36(7) ?
    N1 P2 C31 . . 105.59(7) ?
    N1 P2 C41 . . 105.52(7) ?
    C31 P2 C41 . . 100.78(7) ?
    N1 C1 C2 . . 112.95(13) ?
    N1 C1 H1A . . 109 ?
    C2 C1 H1A . . 109 ?
    N1 C1 H1B . . 109 ?
    C2 C1 H1B . . 109 ?
    H1A C1 H1B . . 107.8 ?
    C1 C2 H2A . . 109.5 ?
    C1 C2 H2B . . 109.5 ?
    H2A C2 H2B . . 109.5 ?
    C1 C2 H2C . . 109.5 ?
    H2A C2 H2C . . 109.5 ?
    H2B C2 H2C . . 109.5 ?
    C12 C11 C16 . . 118.04(14) ?
    C12 C11 P1 . . 117.34(11) ?
    C16 C11 P1 . . 124.63(12) ?
    C11 C12 C13 . . 121.46(14) ?
    C11 C12 H12 . . 119.3 ?
    C13 C12 H12 . . 119.3 ?
    C14 C13 C12 . . 119.74(15) ?
    C14 C13 H13A . . 120.1 ?
    C12 C13 H13A . . 120.1 ?
    C13 C14 C15 . . 119.70(14) ?
    C13 C14 H14 . . 120.2 ?
    C15 C14 H14 . . 120.2 ?
    C14 C15 C16 . . 120.56(15) ?
    C14 C15 H15 . . 119.7 ?
    C16 C15 H15 . . 119.7 ?
    C15 C16 C11 . . 120.48(15) ?
    C15 C16 H16 . . 119.8 ?
    C11 C16 H16 . . 119.8 ?
    C26 C21 C22 . . 117.87(15) ?
    C26 C21 P1 . . 122.22(12) ?
    C22 C21 P1 . . 119.53(12) ?
    C23 C22 C21 . . 121.29(15) ?
    C23 C22 H22 . . 119.4 ?
    C21 C22 H22 . . 119.4 ?
    C22 C23 C24 . . 120.15(15) ?
    C22 C23 H23 . . 119.9 ?
    C24 C23 H23 . . 119.9 ?
    C23 C24 C25 . . 119.44(16) ?
    C23 C24 H24 . . 120.3 ?
    C25 C24 H24 . . 120.3 ?
    C26 C25 C24 . . 120.55(15) ?
    C26 C25 H25 . . 119.7 ?
    C24 C25 H25 . . 119.7 ?
    C25 C26 C21 . . 120.67(15) ?
    C25 C26 H26 . . 119.7 ?
    C21 C26 H26 . . 119.7 ?
    C36 C31 C32 . . 118.21(15) ?
    C36 C31 P2 . . 123.55(12) ?
    C32 C31 P2 . . 118.08(12) ?
    C33 C32 C31 . . 120.61(15) ?
    C33 C32 H32 . . 119.7 ?
    C31 C32 H32 . . 119.7 ?
    C32 C33 C34 . . 120.51(16) ?
    C32 C33 H33 . . 119.7 ?
    C34 C33 H33 . . 119.7 ?
    C35 C34 C33 . . 119.42(16) ?
    C35 C34 H34 . . 120.3 ?
    C33 C34 H34 . . 120.3 ?
    C34 C35 C36 . . 120.32(15) ?
    C34 C35 H35 . . 119.8 ?
    C36 C35 H35 . . 119.8 ?
    C35 C36 C31 . . 120.88(15) ?
    C35 C36 H36 . . 119.6 ?
    C31 C36 H36 . . 119.6 ?
    C42 C41 C46 . . 118.76(14) ?
    C42 C41 P2 . . 116.96(12) ?
    C46 C41 P2 . . 124.14(12) ?
    C43 C42 C41 . . 120.57(15) ?
    C43 C42 H42 . . 119.7 ?
    C41 C42 H42 . . 119.7 ?
    C44 C43 C42 . . 119.90(15) ?
    C44 C43 H43 . . 120.1 ?
    C42 C43 H43 . . 120.1 ?
    C45 C44 C43 . . 120.33(14) ?
    C45 C44 H44 . . 119.8 ?
    C43 C44 H44 . . 119.8 ?
    C44 C45 C46 . . 119.69(15) ?
    C44 C45 H45 . . 120.2 ?
    C46 C45 H45 . . 120.2 ?
    C45 C46 C41 . . 120.75(14) ?
    C45 C46 H46 . . 119.6 ?
    C41 C46 H46 . . 119.6 ?
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
    C1 N1 P1 C21 . . . . -53.54(12) ?
    P2 N1 P1 C21 . . . . 123.41(9) ?
    C1 N1 P1 C11 . . . . 50.91(13) ?
    P2 N1 P1 C11 . . . . -132.13(9) ?
    C1 N1 P2 C31 . . . . -116.42(11) ?
    P1 N1 P2 C31 . . . . 66.40(10) ?
    C1 N1 P2 C41 . . . . 137.38(10) ?
    P1 N1 P2 C41 . . . . -39.80(11) ?
    P1 N1 C1 C2 . . . . -111.26(14) ?
    P2 N1 C1 C2 . . . . 71.52(15) ?
    N1 P1 C11 C12 . . . . 109.42(13) ?
    C21 P1 C11 C12 . . . . -144.47(12) ?
    N1 P1 C11 C16 . . . . -70.44(15) ?
    C21 P1 C11 C16 . . . . 35.67(15) ?
    C16 C11 C12 C13 . . . . 1.3(2) ?
    P1 C11 C12 C13 . . . . -178.59(12) ?
    C11 C12 C13 C14 . . . . 0.3(2) ?
    C12 C13 C14 C15 . . . . -1.2(2) ?
    C13 C14 C15 C16 . . . . 0.6(2) ?
    C14 C15 C16 C11 . . . . 1.0(2) ?
    C12 C11 C16 C15 . . . . -1.9(2) ?
    P1 C11 C16 C15 . . . . 177.98(12) ?
    N1 P1 C21 C26 . . . . -32.09(13) ?
    C11 P1 C21 C26 . . . . -139.97(12) ?
    N1 P1 C21 C22 . . . . 155.21(11) ?
    C11 P1 C21 C22 . . . . 47.33(13) ?
    C26 C21 C22 C23 . . . . 0.2(2) ?
    P1 C21 C22 C23 . . . . 173.18(11) ?
    C21 C22 C23 C24 . . . . 1.3(2) ?
    C22 C23 C24 C25 . . . . -1.4(2) ?
    C23 C24 C25 C26 . . . . -0.1(2) ?
    C24 C25 C26 C21 . . . . 1.6(2) ?
    C22 C21 C26 C25 . . . . -1.6(2) ?
    P1 C21 C26 C25 . . . . -174.42(11) ?
    N1 P2 C31 C36 . . . . 14.23(15) ?
    C41 P2 C31 C36 . . . . 123.86(13) ?
    N1 P2 C31 C32 . . . . -170.32(12) ?
    C41 P2 C31 C32 . . . . -60.70(13) ?
    C36 C31 C32 C33 . . . . -2.5(2) ?
    P2 C31 C32 C33 . . . . -178.19(13) ?
    C31 C32 C33 C34 . . . . 1.4(3) ?
    C32 C33 C34 C35 . . . . 0.3(3) ?
    C33 C34 C35 C36 . . . . -0.8(3) ?
    C34 C35 C36 C31 . . . . -0.3(2) ?
    C32 C31 C36 C35 . . . . 1.9(2) ?
    P2 C31 C36 C35 . . . . 177.36(12) ?
    N1 P2 C41 C42 . . . . -93.59(13) ?
    C31 P2 C41 C42 . . . . 156.74(12) ?
    N1 P2 C41 C46 . . . . 90.85(14) ?
    C31 P2 C41 C46 . . . . -18.82(14) ?
    C46 C41 C42 C43 . . . . 0.4(2) ?
    P2 C41 C42 C43 . . . . -175.41(12) ?
    C41 C42 C43 C44 . . . . 0.1(2) ?
    C42 C43 C44 C45 . . . . -0.5(2) ?
    C43 C44 C45 C46 . . . . 0.3(2) ?
    C44 C45 C46 C41 . . . . 0.3(2) ?
    C42 C41 C46 C45 . . . . -0.6(2) ?
    P2 C41 C46 C45 . . . . 174.89(12) ?
