##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# 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     'Manual editing of CID file produced by SHELXL-97'
_journal_date_recd_electronic     2011-12-15
_journal_date_accepted     2012-01-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      2
_journal_page_first     o528
_journal_page_last     o528
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812002279
_journal_coeditor_code     HB6569
_publ_contact_author
;
  Lars Eriksson
  Department of Material and Environmental Chemistry
  Arrhenius laboratory
  Stockholm University
  S-106 91 Stockholm
  Sweden
;
_publ_contact_author_email     lars.eriksson@mmk.su.se
_publ_contact_author_fax     ?
_publ_contact_author_phone     '+46 8 16 23 94'
_publ_section_title
;
Methyl 3-O-α-L-fucopyranosyl α-D-galactopyranoside: a
synchrotron study
;
loop_
    _publ_author_name
    _publ_author_address
    'Eriksson, Lars'
;
  Department of Material and Environmental Chemistry
  Arrhenius Laboratory
  Stockholm University
  S-106 91 Stockholm
  Sweden
;
    'Widmalm, Göran'
;
  Department of Organic Chemistry
  Arrhenius Laboratory
  Stockholm University
  S-106 91 Stockholm
  Sweden
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Methyl 3-O-α-L-fucopyranosyl α-D-galactopyranoside
;
_chemical_name_common     ?
_chemical_formula_moiety     'C13 H24 O10'
_chemical_formula_sum     'C13 H24 O10'
_chemical_formula_iupac     'C13 H24 O10'
_chemical_formula_weight     340.32
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
_cell_length_a     4.78478(11)
_cell_length_b     15.7859(5)
_cell_length_c     19.4401(5)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1468.36(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min     ?
_cell_measurement_theta_max     ?
_cell_measurement_temperature     100(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.030
_exptl_crystal_size_mid     0.008
_exptl_crystal_size_min     0.005
_exptl_crystal_density_diffrn     1.539
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     728
_exptl_absorpt_coefficient_mu     0.133
_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     100(2)
_diffrn_radiation_type     synchrotron
_diffrn_radiation_wavelength     0.907
_diffrn_radiation_source     'I911, Maxlab'
_diffrn_radiation_monochromator     Si(111)
_diffrn_measurement_device_type     'Marresearch MARCCD 165'
_diffrn_measurement_method     'φ scans'
_diffrn_detector_area_resol_mean     0.0806
_diffrn_reflns_number     7469
_diffrn_reflns_av_R_equivalents     0.1165
_diffrn_reflns_av_sigmaI/netI     0.0491
_diffrn_reflns_theta_min     3.14
_diffrn_reflns_theta_max     30.10
_diffrn_reflns_theta_full     30.10
_diffrn_measured_fraction_theta_max     0.922
_diffrn_measured_fraction_theta_full     0.922
_diffrn_reflns_limit_h_min     -5
_diffrn_reflns_limit_h_max     5
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     .
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_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     1162
_reflns_number_gt     975
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0716
_refine_ls_R_factor_gt     0.0598
_refine_ls_wR_factor_gt     0.1523
_refine_ls_wR_factor_ref     0.1766
_refine_ls_goodness_of_fit_ref     1.092
_refine_ls_restrained_S_all     1.092
_refine_ls_number_reflns     1162
_refine_ls_number_parameters     216
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.1211P)²+0.7072P] 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     0.304
_refine_diff_density_min     -0.268
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     ?
_refine_ls_abs_structure_Flack     .
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 0.0000
                         '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'
    'O' 'O' 0.0106 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'MARCCD (Marresearch, 2010)'
_computing_cell_refinement     'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_reduction     'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'DIAMOND (Brandenburg, 1999)'
_computing_publication_material     'PLATON (Spek, 2009)'
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1F 0.2242(15) 0.5346(4) 0.5260(3) 0.0359(16) Uani d . 1 1 . .
    H H1F 0.0917 0.5802 0.5114 0.054 Uiso calc R 1 1 . .
    C C2F 0.3048(14) 0.4827(5) 0.4636(3) 0.0409(17) Uani d . 1 1 . .
    H H2F 0.1270 0.4633 0.4416 0.061 Uiso calc R 1 1 . .
    C C3F 0.4713(14) 0.4025(4) 0.4827(3) 0.0394(17) Uani d . 1 1 . .
    H H3F 0.6577 0.4217 0.4999 0.059 Uiso calc R 1 1 . .
    C C4F 0.3298(15) 0.3548(5) 0.5419(3) 0.0382(17) Uani d . 1 1 . .
    H H4F 0.4571 0.3089 0.5585 0.057 Uiso calc R 1 1 . .
    C C5F 0.2588(15) 0.4126(4) 0.6012(3) 0.0403(17) Uani d . 1 1 . .
    H H5F 0.4368 0.4347 0.6214 0.060 Uiso calc R 1 1 . .
    O O5F 0.0941(9) 0.4845(3) 0.5765(2) 0.0393(12) Uani d . 1 1 . .
    C C6F 0.0937(17) 0.3710(5) 0.6571(3) 0.0465(19) Uani d . 1 1 . .
    H H6F1 0.0533 0.4124 0.6933 0.070 Uiso calc R 1 1 . .
    H H6F2 0.2017 0.3240 0.6764 0.070 Uiso calc R 1 1 . .
    H H6F3 -0.0822 0.3494 0.6381 0.070 Uiso calc R 1 1 . .
    O O2F 0.4489(10) 0.5325(3) 0.4138(2) 0.0430(13) Uani d . 1 1 . .
    H H2F1 0.5624 0.5648 0.4338 0.065 Uiso calc R 1 1 . .
    O O3F 0.5214(11) 0.3485(3) 0.4262(2) 0.0458(13) Uani d . 1 1 . .
    H H3F1 0.3725 0.3417 0.4040 0.069 Uiso calc R 1 1 . .
    O O4F 0.0806(9) 0.3171(3) 0.5133(3) 0.0430(13) Uani d . 1 1 . .
    H H4F1 0.0532 0.2697 0.5316 0.065 Uiso calc R 1 1 . .
    C C1G 0.6262(16) 0.7690(5) 0.6550(3) 0.0400(17) Uani d . 1 1 . .
    H H1G 0.7796 0.8113 0.6487 0.060 Uiso calc R 1 1 . .
    C C2G 0.6339(14) 0.7069(4) 0.5935(3) 0.0371(17) Uani d . 1 1 . .
    H H2G 0.8264 0.6823 0.5909 0.056 Uiso calc R 1 1 . .
    C C3G 0.4279(14) 0.6336(4) 0.6047(3) 0.0362(16) Uani d . 1 1 . .
    H H3G 0.2321 0.6554 0.6017 0.054 Uiso calc R 1 1 . .
    C C4G 0.4759(15) 0.5952(5) 0.6746(4) 0.0406(18) Uani d . 1 1 . .
    H H4G 0.3289 0.5514 0.6831 0.061 Uiso calc R 1 1 . .
    C C5G 0.4618(15) 0.6608(4) 0.7312(4) 0.0420(18) Uani d . 1 1 . .
    H H5G 0.2701 0.6860 0.7328 0.063 Uiso calc R 1 1 . .
    C C6G 0.5295(18) 0.6222(5) 0.7996(3) 0.0463(19) Uani d . 1 1 . .
    H H6G1 0.4176 0.5700 0.8059 0.069 Uiso calc R 1 1 . .
    H H6G2 0.7295 0.6062 0.8006 0.069 Uiso calc R 1 1 . .
    O O1G 0.3648(10) 0.8128(3) 0.6509(2) 0.0434(13) Uani d . 1 1 . .
    O O2G 0.5808(10) 0.7497(3) 0.5311(2) 0.0436(13) Uani d . 1 1 . .
    H H2G1 0.7044 0.7370 0.5022 0.065 Uiso calc R 1 1 . .
    O O3G 0.4759(10) 0.5731(3) 0.5507(2) 0.0412(12) Uani d . 1 1 . .
    O O4G 0.7492(10) 0.5552(3) 0.6797(2) 0.0444(13) Uani d . 1 1 . .
    H H4G1 0.7904 0.5329 0.6418 0.067 Uiso calc R 1 1 . .
    O O5G 0.6680(10) 0.7279(3) 0.7175(2) 0.0418(13) Uani d . 1 1 . .
    O O6G 0.4725(10) 0.6796(3) 0.8553(2) 0.0446(13) Uani d . 1 1 . .
    H H6G 0.5970 0.6748 0.8855 0.067 Uiso calc R 1 1 . .
    C C7 0.3647(18) 0.8825(5) 0.6975(3) 0.049(2) Uani d . 1 1 . .
    H H7A 0.3842 0.8615 0.7447 0.073 Uiso calc R 1 1 . .
    H H7B 0.1885 0.9137 0.6931 0.073 Uiso calc R 1 1 . .
    H H7C 0.5213 0.9202 0.6867 0.073 Uiso calc R 1 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    C1F 0.026(3) 0.053(4) 0.029(3) 0.002(3) -0.004(3) -0.006(3)
    C2F 0.021(3) 0.061(4) 0.041(4) -0.004(3) -0.012(3) 0.005(4)
    C3F 0.025(3) 0.058(4) 0.035(4) -0.001(4) -0.003(3) -0.007(3)
    C4F 0.028(4) 0.051(4) 0.035(4) -0.004(3) -0.007(3) -0.005(3)
    C5F 0.024(3) 0.054(4) 0.044(4) 0.005(4) -0.003(3) 0.006(3)
    O5F 0.023(2) 0.057(3) 0.038(3) 0.000(2) 0.002(2) 0.002(2)
    C6F 0.038(4) 0.062(5) 0.040(4) 0.007(4) 0.001(3) 0.000(4)
    O2F 0.030(3) 0.061(3) 0.038(2) -0.004(2) 0.004(2) 0.000(2)
    O3F 0.026(3) 0.067(3) 0.044(3) 0.000(3) -0.002(2) -0.001(2)
    O4F 0.023(3) 0.058(3) 0.048(3) -0.005(2) 0.000(2) -0.001(2)
    C1G 0.036(4) 0.051(4) 0.032(4) 0.005(4) 0.001(3) 0.007(3)
    C2G 0.020(3) 0.059(4) 0.032(3) 0.006(3) 0.001(3) 0.000(3)
    C3G 0.020(3) 0.049(4) 0.040(4) 0.001(3) -0.012(3) -0.003(3)
    C4G 0.021(3) 0.051(4) 0.050(4) 0.005(3) -0.007(3) 0.000(4)
    C5G 0.025(4) 0.059(5) 0.043(4) 0.002(4) -0.002(3) 0.002(3)
    C6G 0.047(5) 0.055(4) 0.037(4) 0.006(4) -0.002(4) -0.004(4)
    O1G 0.029(3) 0.059(3) 0.042(3) 0.006(3) -0.006(2) 0.006(2)
    O2G 0.023(3) 0.071(3) 0.038(2) 0.008(3) 0.002(2) 0.008(3)
    O3G 0.025(3) 0.058(3) 0.041(3) 0.000(2) -0.009(2) -0.002(2)
    O4G 0.031(3) 0.063(3) 0.040(3) 0.010(3) 0.003(2) -0.006(2)
    O5G 0.028(3) 0.061(3) 0.037(3) -0.005(2) -0.002(2) 0.000(2)
    O6G 0.029(3) 0.069(3) 0.036(3) -0.003(3) -0.002(2) -0.004(3)
    C7 0.042(4) 0.068(5) 0.036(4) 0.010(4) -0.008(3) -0.004(4)
_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
    C1F O5F . 1.406(8) ?
    C1F O3G . 1.432(8) ?
    C1F C2F . 1.515(9) ?
    C1F H1F . 1.0000 ?
    C2F O2F . 1.425(8) ?
    C2F C3F . 1.541(10) ?
    C2F H2F . 1.0000 ?
    C3F O3F . 1.411(8) ?
    C3F C4F . 1.532(10) ?
    C3F H3F . 1.0000 ?
    C4F O4F . 1.444(8) ?
    C4F C5F . 1.509(9) ?
    C4F H4F . 1.0000 ?
    C5F O5F . 1.462(8) ?
    C5F C6F . 1.495(10) ?
    C5F H5F . 1.0000 ?
    C6F H6F1 . 0.9800 ?
    C6F H6F2 . 0.9800 ?
    C6F H6F3 . 0.9800 ?
    O2F H2F1 . 0.8400 ?
    O3F H3F1 . 0.8400 ?
    O4F H4F1 . 0.8400 ?
    C1G O5G . 1.392(8) ?
    C1G O1G . 1.431(9) ?
    C1G C2G . 1.546(9) ?
    C1G H1G . 1.0000 ?
    C2G O2G . 1.414(8) ?
    C2G C3G . 1.535(9) ?
    C2G H2G . 1.0000 ?
    C3G O3G . 1.438(8) ?
    C3G C4G . 1.505(9) ?
    C3G H3G . 1.0000 ?
    C4G O4G . 1.456(9) ?
    C4G C5G . 1.513(10) ?
    C4G H4G . 1.0000 ?
    C5G O5G . 1.471(8) ?
    C5G C6G . 1.498(10) ?
    C5G H5G . 1.0000 ?
    C6G O6G . 1.437(8) ?
    C6G H6G1 . 0.9900 ?
    C6G H6G2 . 0.9900 ?
    O1G C7 . 1.424(8) ?
    O2G H2G1 . 0.8400 ?
    O4G H4G1 . 0.8400 ?
    O6G H6G . 0.8400 ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
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
    O5F C1F O3G . . 112.2(5) ?
    O5F C1F C2F . . 111.6(5) ?
    O3G C1F C2F . . 106.5(5) ?
    O5F C1F H1F . . 108.8 ?
    O3G C1F H1F . . 108.8 ?
    C2F C1F H1F . . 108.8 ?
    O2F C2F C1F . . 111.7(6) ?
    O2F C2F C3F . . 111.5(5) ?
    C1F C2F C3F . . 112.5(5) ?
    O2F C2F H2F . . 106.9 ?
    C1F C2F H2F . . 106.9 ?
    C3F C2F H2F . . 106.9 ?
    O3F C3F C4F . . 111.3(6) ?
    O3F C3F C2F . . 113.4(5) ?
    C4F C3F C2F . . 110.9(6) ?
    O3F C3F H3F . . 107.0 ?
    C4F C3F H3F . . 107.0 ?
    C2F C3F H3F . . 107.0 ?
    O4F C4F C5F . . 110.9(6) ?
    O4F C4F C3F . . 106.1(5) ?
    C5F C4F C3F . . 112.1(6) ?
    O4F C4F H4F . . 109.2 ?
    C5F C4F H4F . . 109.2 ?
    C3F C4F H4F . . 109.2 ?
    O5F C5F C6F . . 107.1(6) ?
    O5F C5F C4F . . 109.8(5) ?
    C6F C5F C4F . . 114.1(6) ?
    O5F C5F H5F . . 108.5 ?
    C6F C5F H5F . . 108.5 ?
    C4F C5F H5F . . 108.5 ?
    C1F O5F C5F . . 115.3(5) ?
    C5F C6F H6F1 . . 109.5 ?
    C5F C6F H6F2 . . 109.5 ?
    H6F1 C6F H6F2 . . 109.5 ?
    C5F C6F H6F3 . . 109.5 ?
    H6F1 C6F H6F3 . . 109.5 ?
    H6F2 C6F H6F3 . . 109.5 ?
    C2F O2F H2F1 . . 109.5 ?
    C3F O3F H3F1 . . 109.5 ?
    C4F O4F H4F1 . . 109.5 ?
    O5G C1G O1G . . 113.5(5) ?
    O5G C1G C2G . . 112.0(5) ?
    O1G C1G C2G . . 106.6(5) ?
    O5G C1G H1G . . 108.2 ?
    O1G C1G H1G . . 108.2 ?
    C2G C1G H1G . . 108.2 ?
    O2G C2G C3G . . 111.5(5) ?
    O2G C2G C1G . . 110.9(5) ?
    C3G C2G C1G . . 110.7(5) ?
    O2G C2G H2G . . 107.9 ?
    C3G C2G H2G . . 107.9 ?
    C1G C2G H2G . . 107.9 ?
    O3G C3G C4G . . 111.5(5) ?
    O3G C3G C2G . . 107.1(5) ?
    C4G C3G C2G . . 109.5(5) ?
    O3G C3G H3G . . 109.6 ?
    C4G C3G H3G . . 109.6 ?
    C2G C3G H3G . . 109.6 ?
    O4G C4G C3G . . 111.9(6) ?
    O4G C4G C5G . . 106.7(6) ?
    C3G C4G C5G . . 112.0(6) ?
    O4G C4G H4G . . 108.7 ?
    C3G C4G H4G . . 108.7 ?
    C5G C4G H4G . . 108.7 ?
    O5G C5G C6G . . 108.0(6) ?
    O5G C5G C4G . . 109.2(6) ?
    C6G C5G C4G . . 111.0(6) ?
    O5G C5G H5G . . 109.5 ?
    C6G C5G H5G . . 109.5 ?
    C4G C5G H5G . . 109.5 ?
    O6G C6G C5G . . 111.7(6) ?
    O6G C6G H6G1 . . 109.3 ?
    C5G C6G H6G1 . . 109.3 ?
    O6G C6G H6G2 . . 109.3 ?
    C5G C6G H6G2 . . 109.3 ?
    H6G1 C6G H6G2 . . 107.9 ?
    C7 O1G C1G . . 109.8(5) ?
    C2G O2G H2G1 . . 109.5 ?
    C1F O3G C3G . . 113.1(5) ?
    C4G O4G H4G1 . . 109.5 ?
    C1G O5G C5G . . 113.4(5) ?
    C6G O6G H6G . . 109.5 ?
    O1G C7 H7A . . 109.5 ?
    O1G C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    O1G C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
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
    O5F C1F C2F O2F . . . . -177.1(5) ?
    O3G C1F C2F O2F . . . . -54.4(7) ?
    O5F C1F C2F C3F . . . . -50.8(7) ?
    O3G C1F C2F C3F . . . . 71.9(7) ?
    O2F C2F C3F O3F . . . . -60.3(8) ?
    C1F C2F C3F O3F . . . . 173.3(6) ?
    O2F C2F C3F C4F . . . . 173.7(5) ?
    C1F C2F C3F C4F . . . . 47.3(7) ?
    O3F C3F C4F O4F . . . . -55.3(7) ?
    C2F C3F C4F O4F . . . . 71.8(6) ?
    O3F C3F C4F C5F . . . . -176.6(6) ?
    C2F C3F C4F C5F . . . . -49.5(7) ?
    O4F C4F C5F O5F . . . . -64.9(7) ?
    C3F C4F C5F O5F . . . . 53.6(7) ?
    O4F C4F C5F C6F . . . . 55.4(8) ?
    C3F C4F C5F C6F . . . . 173.9(6) ?
    O3G C1F O5F C5F . . . . -61.8(6) ?
    C2F C1F O5F C5F . . . . 57.6(7) ?
    C6F C5F O5F C1F . . . . 176.5(5) ?
    C4F C5F O5F C1F . . . . -59.0(7) ?
    O5G C1G C2G O2G . . . . 177.9(5) ?
    O1G C1G C2G O2G . . . . 53.1(7) ?
    O5G C1G C2G C3G . . . . 53.6(7) ?
    O1G C1G C2G C3G . . . . -71.1(6) ?
    O2G C2G C3G O3G . . . . 64.1(6) ?
    C1G C2G C3G O3G . . . . -172.1(5) ?
    O2G C2G C3G C4G . . . . -174.9(5) ?
    C1G C2G C3G C4G . . . . -51.0(7) ?
    O3G C3G C4G O4G . . . . 53.0(7) ?
    C2G C3G C4G O4G . . . . -65.3(7) ?
    O3G C3G C4G C5G . . . . 172.8(6) ?
    C2G C3G C4G C5G . . . . 54.4(7) ?
    O4G C4G C5G O5G . . . . 65.6(6) ?
    C3G C4G C5G O5G . . . . -57.1(7) ?
    O4G C4G C5G C6G . . . . -53.3(8) ?
    C3G C4G C5G C6G . . . . -176.1(6) ?
    O5G C5G C6G O6G . . . . 69.9(7) ?
    C4G C5G C6G O6G . . . . -170.4(6) ?
    O5G C1G O1G C7 . . . . 67.5(7) ?
    C2G C1G O1G C7 . . . . -168.6(5) ?
    O5F C1F O3G C3G . . . . -65.4(7) ?
    C2F C1F O3G C3G . . . . 172.3(5) ?
    C4G C3G O3G C1F . . . . 97.7(6) ?
    C2G C3G O3G C1F . . . . -142.5(5) ?
    O1G C1G O5G C5G . . . . 62.6(7) ?
    C2G C1G O5G C5G . . . . -58.2(7) ?
    C6G C5G O5G C1G . . . . -179.8(5) ?
    C4G C5G O5G C1G . . . . 59.4(7) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_D
    _geom_hbond_site_symmetry_H
    _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
    O3f H3f1 O6g . . 2_564 0.84 1.93 2.772(7) 177 yes
    O4f H4f1 O3f . . 3_456 0.84 2.04 2.880(7) 175 yes
    O2g H2g1 O2g . . 3_566 0.84 1.92 2.680(7) 149 yes
    O4g H4g1 O5f . . 1_655 0.84 2.08 2.827(6) 149 yes
    O6g H6g O3f . . 2_665 0.84 2.02 2.822(7) 158 yes
