#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:49:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180450 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/19/7211983.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7211983
loop_
_publ_author_name
'Tominaga, Masahide'
'Katagiri, Kosuke'
'Azumaya, Isao'
_publ_section_title
;
 Hydrogen-bonded networks formed from tri- and tetra-substituted
 adamantanes bearing dimethoxyphenol moieties and their
 1,3,5-trinitrobenzene complexes via charge-transfer interactions
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              1164
_journal_paper_doi               10.1039/b917654c
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C46 H52 Cl12 O12'
_chemical_formula_weight         1222.28
_chemical_name_systematic
;

?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.3560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.279(3)
_cell_length_b                   10.6127(10)
_cell_length_c                   22.276(4)
_cell_measurement_reflns_used    7365
_cell_measurement_temperature    120
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      2.47
_cell_volume                     5464.4(12)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13020
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.13
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.665
_exptl_absorpt_correction_T_max  0.8005
_exptl_absorpt_correction_T_min  0.7767
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.169
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         5515
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0595P)²+24.7490P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1421
_reflns_number_gt                4840
_reflns_number_total             5515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917654c.txt
_cod_data_source_block           a0811151kka
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5464.5(12)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7211983
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C21 C 0.5000 0.3713(3) 0.7500 0.0135(6) Uani 1 2 d S
H21A H 0.5171 0.3164 0.7974 0.016 Uiso 0.50 1 calc PR
H21B H 0.4829 0.3164 0.7026 0.016 Uiso 0.50 1 calc PR
Cl11 Cl 0.65533(8) 0.25551(11) 0.18096(7) 0.0988(6) Uani 1 1 d .
Cl12 Cl 0.54397(5) 0.25291(10) 0.01558(10) 0.0787(4) Uani 1 1 d .
Cl8 Cl 0.82126(4) 0.69102(9) 0.12873(7) 0.0527(3) Uani 1 1 d .
Cl9 Cl 0.71364(4) 0.66415(8) 0.09217(7) 0.0508(3) Uani 1 1 d .
Cl7 Cl 0.74757(4) 0.47371(9) 0.03895(5) 0.0471(2) Uani 1 1 d .
Cl10 Cl 0.64484(4) 0.34382(7) 0.05045(5) 0.0374(2) Uani 1 1 d .
C24 C 0.61879(14) 0.2351(3) 0.07898(19) 0.0316(6) Uani 1 1 d .
H24 H 0.6268 0.1481 0.0715 0.038 Uiso 1 1 calc R
C16 C 0.55393(13) 0.0049(3) 0.6741(2) 0.0337(7) Uani 1 1 d .
H16A H 0.5482 -0.0038 0.7121 0.051 Uiso 1 1 calc R
H16B H 0.5526 -0.0785 0.6540 0.051 Uiso 1 1 calc R
H16C H 0.5232 0.0580 0.6283 0.051 Uiso 1 1 calc R
C23 C 0.77241(13) 0.5839(3) 0.11576(19) 0.0319(6) Uani 1 1 d .
H23 H 0.7931 0.5372 0.1679 0.038 Uiso 1 1 calc R
C8 C 0.39513(14) 1.0800(3) 0.59232(18) 0.0301(6) Uani 1 1 d .
H8A H 0.3706 1.0272 0.5947 0.045 Uiso 1 1 calc R
H8B H 0.3811 1.1671 0.5802 0.045 Uiso 1 1 calc R
H8C H 0.4351 1.0771 0.6448 0.045 Uiso 1 1 calc R
C7 C 0.41131(13) 0.5835(3) 0.39104(17) 0.0261(6) Uani 1 1 d .
H7A H 0.4502 0.5509 0.4359 0.039 Uiso 1 1 calc R
H7B H 0.4023 0.5731 0.3398 0.039 Uiso 1 1 calc R
H7C H 0.3830 0.5371 0.3884 0.039 Uiso 1 1 calc R
C15 C 0.75309(12) 0.5193(3) 0.8687(2) 0.0307(6) Uani 1 1 d .
H15A H 0.7213 0.5667 0.8203 0.046 Uiso 1 1 calc R
H15B H 0.7892 0.5381 0.8815 0.046 Uiso 1 1 calc R
H15C H 0.7570 0.5434 0.9147 0.046 Uiso 1 1 calc R
C10 C 0.68743(11) 0.3479(2) 0.82054(15) 0.0205(5) Uani 1 1 d .
C2 C 0.41659(11) 0.7447(2) 0.47059(15) 0.0173(5) Uani 1 1 d .
C14 C 0.61938(11) 0.1788(2) 0.74910(15) 0.0183(5) Uani 1 1 d .
C19 C 0.52026(10) 0.5367(2) 0.69244(14) 0.0143(5) Uani 1 1 d .
H19A H 0.5504 0.5907 0.7026 0.017 Uiso 1 1 calc R
H19B H 0.5035 0.4833 0.6446 0.017 Uiso 1 1 calc R
C22 C 0.57437(10) 0.5357(2) 0.84179(14) 0.0140(5) Uani 1 1 d .
H22A H 0.5918 0.4817 0.8897 0.017 Uiso 1 1 calc R
H22B H 0.6054 0.5890 0.8539 0.017 Uiso 1 1 calc R
C9 C 0.67305(11) 0.2290(2) 0.78591(15) 0.0197(5) Uani 1 1 d .
C6 C 0.40842(10) 0.9107(2) 0.53497(15) 0.0177(5) Uani 1 1 d .
C12 C 0.59386(10) 0.3690(2) 0.77969(13) 0.0145(5) Uani 1 1 d .
C5 C 0.43022(10) 0.8307(2) 0.59938(14) 0.0171(5) Uani 1 1 d .
H5 H 0.4344 0.8608 0.6433 0.021 Uiso 1 1 calc R
C13 C 0.58019(10) 0.2481(2) 0.74603(15) 0.0173(5) Uani 1 1 d .
H13 H 0.5435 0.2128 0.7206 0.021 Uiso 1 1 calc R
C20 C 0.54815(10) 0.4519(2) 0.76712(14) 0.0134(5) Uani 1 1 d .
C11 C 0.64859(10) 0.4176(2) 0.81810(14) 0.0178(5) Uani 1 1 d .
H11 H 0.6593 0.4986 0.8426 0.021 Uiso 1 1 calc R
C3 C 0.43829(10) 0.6643(2) 0.53495(14) 0.0163(5) Uani 1 1 d .
H3 H 0.4479 0.5799 0.5339 0.020 Uiso 1 1 calc R
C1 C 0.40220(10) 0.8686(2) 0.47037(14) 0.0172(5) Uani 1 1 d .
C4 C 0.44613(10) 0.7067(2) 0.60099(14) 0.0145(5) Uani 1 1 d .
C17 C 0.47248(10) 0.6204(2) 0.67416(13) 0.0135(4) Uani 1 1 d .
C18 C 0.5000 0.7005(3) 0.7500 0.0146(6) Uani 1 2 d S
H18A H 0.4700 0.7555 0.7395 0.018 Uiso 0.50 1 calc PR
H18B H 0.5300 0.7555 0.7605 0.018 Uiso 0.50 1 calc PR
O5 O 0.74122(8) 0.38776(19) 0.85353(14) 0.0313(5) Uani 1 1 d .
O4 O 0.70930(8) 0.16047(18) 0.78393(13) 0.0270(4) Uani 1 1 d .
H4 H 0.7403 0.2004 0.8081 0.040 Uiso 1 1 calc R
O2 O 0.40905(9) 0.71400(17) 0.40414(11) 0.0237(4) Uani 1 1 d .
O6 O 0.60908(8) 0.06199(17) 0.71490(12) 0.0245(4) Uani 1 1 d .
O3 O 0.39309(9) 1.03427(17) 0.53011(11) 0.0247(4) Uani 1 1 d .
O1 O 0.38170(9) 0.95071(17) 0.40855(11) 0.0227(4) Uani 1 1 d .
H1 H 0.3771 0.9124 0.3715 0.034 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C20 C21 C20 112.6(3) . 2_656
C20 C21 H21A 109.1 . .
C20 C21 H21A 109.1 2_656 .
C20 C21 H21B 109.1 . .
C20 C21 H21B 109.1 2_656 .
H21A C21 H21B 107.8 . .
Cl11 C24 Cl12 112.72(19) . .
Cl11 C24 Cl10 109.51(17) . .
Cl12 C24 Cl10 109.34(18) . .
Cl11 C24 H24 108.4 . .
Cl12 C24 H24 108.4 . .
Cl10 C24 H24 108.4 . .
O6 C16 H16A 109.5 . .
O6 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O6 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Cl9 C23 Cl7 110.10(17) . .
Cl9 C23 Cl8 110.66(17) . .
Cl7 C23 Cl8 110.66(18) . .
Cl9 C23 H23 108.4 . .
Cl7 C23 H23 108.4 . .
Cl8 C23 H23 108.4 . .
O3 C8 H8A 109.5 . .
O3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O2 C7 H7A 109.5 . .
O2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
O2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O5 C15 H15A 109.5 . .
O5 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
O5 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O5 C10 C9 113.5(2) . .
O5 C10 C11 125.5(2) . .
C9 C10 C11 121.0(2) . .
O2 C2 C1 113.7(2) . .
O2 C2 C3 125.2(2) . .
C1 C2 C3 121.1(2) . .
O6 C14 C9 114.4(2) . .
O6 C14 C13 125.4(2) . .
C9 C14 C13 120.1(2) . .
C17 C19 C20 111.39(18) . .
C17 C19 H19A 109.3 . .
C20 C19 H19A 109.3 . .
C17 C19 H19B 109.3 . .
C20 C19 H19B 109.3 . .
H19A C19 H19B 108.0 . .
C17 C22 C20 110.75(18) 2_656 .
C17 C22 H22A 109.5 2_656 .
C20 C22 H22A 109.5 . .
C17 C22 H22B 109.5 2_656 .
C20 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
O4 C9 C14 118.3(2) . .
O4 C9 C10 122.3(2) . .
C14 C9 C10 119.3(2) . .
O3 C6 C5 124.5(2) . .
O3 C6 C1 115.3(2) . .
C5 C6 C1 120.2(2) . .
C11 C12 C13 118.2(2) . .
C11 C12 C20 120.4(2) . .
C13 C12 C20 121.1(2) . .
C6 C5 C4 121.4(2) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C14 C13 C12 121.1(2) . .
C14 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C12 C20 C21 111.24(19) . .
C12 C20 C19 108.14(18) . .
C21 C20 C19 107.97(17) . .
C12 C20 C22 112.30(18) . .
C21 C20 C22 107.89(17) . .
C19 C20 C22 109.20(19) . .
C10 C11 C12 120.3(2) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C2 C3 C4 120.5(2) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
O1 C1 C2 122.5(2) . .
O1 C1 C6 118.7(2) . .
C2 C1 C6 118.8(2) . .
C3 C4 C5 118.1(2) . .
C3 C4 C17 120.9(2) . .
C5 C4 C17 121.0(2) . .
C18 C17 C4 109.8(2) . .
C18 C17 C19 107.69(17) . .
C4 C17 C19 110.85(18) . .
C18 C17 C22 108.51(17) . 2_656
C4 C17 C22 110.81(18) . 2_656
C19 C17 C22 109.06(19) . 2_656
C17 C18 C17 112.8(3) . 2_656
C17 C18 H18A 109.0 . .
C17 C18 H18A 109.0 2_656 .
C17 C18 H18B 109.0 . .
C17 C18 H18B 109.0 2_656 .
H18A C18 H18B 107.8 . .
C10 O5 C15 117.3(2) . .
C9 O4 H4 109.5 . .
C2 O2 C7 117.1(2) . .
C14 O6 C16 117.7(2) . .
C6 O3 C8 117.5(2) . .
C1 O1 H1 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C21 C20 1.539(3) .
C21 C20 1.539(3) 2_656
C21 H21A 0.9900 .
C21 H21B 0.9900 .
Cl11 C24 1.737(3) .
Cl12 C24 1.748(3) .
Cl8 C23 1.765(3) .
Cl9 C23 1.755(3) .
Cl7 C23 1.763(3) .
Cl10 C24 1.760(3) .
C24 H24 1.0000 .
C16 O6 1.434(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C23 H23 1.0000 .
C8 O3 1.429(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C7 O2 1.426(3) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C15 O5 1.425(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C10 O5 1.372(3) .
C10 C9 1.386(4) .
C10 C11 1.392(4) .
C2 O2 1.372(3) .
C2 C1 1.389(3) .
C2 C3 1.390(3) .
C14 O6 1.375(3) .
C14 C9 1.385(4) .
C14 C13 1.391(3) .
C19 C17 1.539(3) .
C19 C20 1.544(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C22 C17 1.543(3) 2_656
C22 C20 1.547(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C9 O4 1.373(3) .
C6 O3 1.375(3) .
C6 C5 1.388(3) .
C6 C1 1.390(3) .
C12 C11 1.398(3) .
C12 C13 1.399(3) .
C12 C20 1.536(3) .
C5 C4 1.399(3) .
C5 H5 0.9500 .
C13 H13 0.9500 .
C11 H11 0.9500 .
C3 C4 1.393(3) .
C3 H3 0.9500 .
C1 O1 1.370(3) .
C4 C17 1.538(3) .
C17 C18 1.536(3) .
C17 C22 1.543(3) 2_656
C18 C17 1.536(3) 2_656
C18 H18A 0.9900 .
C18 H18B 0.9900 .
O4 H4 0.8400 .
O1 H1 0.8400 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O6 0.84 2.26 2.955(3) 140.7 5_666
O4 H4 Cl10 0.84 2.79 3.427(2) 133.6 7_656
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O6 C14 C9 O4 0.8(3) . .
C13 C14 C9 O4 -176.6(2) . .
O6 C14 C9 C10 178.3(2) . .
C13 C14 C9 C10 0.9(4) . .
O5 C10 C9 O4 -1.3(4) . .
C11 C10 C9 O4 176.8(2) . .
O5 C10 C9 C14 -178.8(2) . .
C11 C10 C9 C14 -0.6(4) . .
O3 C6 C5 C4 -178.5(2) . .
C1 C6 C5 C4 -0.3(4) . .
O6 C14 C13 C12 -177.1(2) . .
C9 C14 C13 C12 0.0(4) . .
C11 C12 C13 C14 -1.2(3) . .
C20 C12 C13 C14 172.3(2) . .
C11 C12 C20 C21 -161.66(19) . .
C13 C12 C20 C21 24.9(3) . .
C11 C12 C20 C19 79.9(3) . .
C13 C12 C20 C19 -93.5(3) . .
C11 C12 C20 C22 -40.6(3) . .
C13 C12 C20 C22 146.0(2) . .
C20 C21 C20 C12 -177.1(2) 2_656 .
C20 C21 C20 C19 -58.63(14) 2_656 .
C20 C21 C20 C22 59.27(14) 2_656 .
C17 C19 C20 C12 178.34(18) . .
C17 C19 C20 C21 57.9(2) . .
C17 C19 C20 C22 -59.2(2) . .
C17 C22 C20 C12 178.25(18) 2_656 .
C17 C22 C20 C21 -58.8(2) 2_656 .
C17 C22 C20 C19 58.3(2) 2_656 .
O5 C10 C11 C12 177.3(2) . .
C9 C10 C11 C12 -0.7(4) . .
C13 C12 C11 C10 1.6(4) . .
C20 C12 C11 C10 -172.0(2) . .
O2 C2 C3 C4 177.7(2) . .
C1 C2 C3 C4 0.0(4) . .
O2 C2 C1 O1 0.9(3) . .
C3 C2 C1 O1 178.8(2) . .
O2 C2 C1 C6 -179.6(2) . .
C3 C2 C1 C6 -1.7(4) . .
O3 C6 C1 O1 -0.2(3) . .
C5 C6 C1 O1 -178.6(2) . .
O3 C6 C1 C2 -179.8(2) . .
C5 C6 C1 C2 1.8(4) . .
C2 C3 C4 C5 1.5(3) . .
C2 C3 C4 C17 -177.4(2) . .
C6 C5 C4 C3 -1.4(4) . .
C6 C5 C4 C17 177.6(2) . .
C3 C4 C17 C18 155.73(19) . .
C5 C4 C17 C18 -23.2(3) . .
C3 C4 C17 C19 36.8(3) . .
C5 C4 C17 C19 -142.1(2) . .
C3 C4 C17 C22 -84.4(3) . 2_656
C5 C4 C17 C22 96.7(3) . 2_656
C20 C19 C17 C18 58.4(2) . .
C20 C19 C17 C4 178.59(19) . .
C20 C19 C17 C22 -59.1(2) . 2_656
C4 C17 C18 C17 -179.8(2) . 2_656
C19 C17 C18 C17 -58.96(14) . 2_656
C22 C17 C18 C17 58.97(14) 2_656 2_656
C9 C10 O5 C15 162.1(2) . .
C11 C10 O5 C15 -16.0(4) . .
C1 C2 O2 C7 -167.5(2) . .
C3 C2 O2 C7 14.7(4) . .
C9 C14 O6 C16 -178.7(2) . .
C13 C14 O6 C16 -1.5(4) . .
C5 C6 O3 C8 -5.6(4) . .
C1 C6 O3 C8 176.1(2) . .
