#------------------------------------------------------------------------------
#$Date: 2019-11-24 06:47:49 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237003 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/99/4349988.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_4349988
loop_
_publ_author_name
'Zhang, Jian-Wei'
'Ji, Wen-Juan'
'Hu, Man-Cheng'
'Li, Shu-Ni'
'Jiang, Yu-Cheng'
'Zhang, Xian-Ming'
'Qu, Peng'
'Zhai, Quan-Guo'
_publ_section_title
;
 A superstable 3p-block metal--organic framework platform towards
 prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and
 strong Lewis acid catalysis for CO2 fixation
;
_journal_issue                   3
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              813
_journal_paper_doi               10.1039/C8QI01396A
_journal_volume                  6
_journal_year                    2019
_chemical_formula_sum            'C42 H22 In3 O16'
_chemical_formula_weight         1127.06
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-03-02 deposited with the CCDC.	2019-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   28.1880(6)
_cell_length_b                   28.1880(6)
_cell_length_c                   74.414(2)
_cell_measurement_reflns_used    15367
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4671
_cell_measurement_theta_min      2.4590
_cell_volume                     51205(2)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1033
_diffrn_reflns_av_sigmaI/netI    0.0482
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       88
_diffrn_reflns_limit_l_min       -88
_diffrn_reflns_number            100147
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_T_max  0.8844
_exptl_absorpt_correction_T_min  0.8687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9882
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.566
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         10050
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1319P)²+729.1309P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2315
_refine_ls_wR_factor_ref         0.2736
_reflns_number_gt                7120
_reflns_number_total             10050
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8qi01396a2.cif
_cod_data_source_block           SNNU-5-In
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Trigonal' was changed to
'trigonal' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               4349988
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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
In1 In 0.73354(2) 0.12585(2) 0.402524(7) 0.0407(2) Uani 1 1 d .
In2 In 0.65562(3) -0.01105(3) 0.4167 0.0447(3) Uani 1 2 d S
O1 O 0.6595(3) 0.1174(3) 0.41404(9) 0.0718(19) Uani 1 1 d .
O2 O 0.6077(3) 0.0289(3) 0.42094(11) 0.077(2) Uani 1 1 d .
O3 O 0.6857(3) 0.0779(3) 0.37951(8) 0.0641(17) Uani 1 1 d .
O4 O 0.6445(4) -0.0096(3) 0.38822(9) 0.084(2) Uani 1 1 d .
O5 O 0.8073(2) 0.1415(3) 0.38909(8) 0.072(2) Uani 1 1 d .
O6 O 0.8505(3) 0.1186(3) 0.40986(8) 0.073(2) Uani 1 1 d .
O7 O 0.7280(3) 0.0613(3) 0.4167 0.0404(16) Uani 1 2 d S
O8 O 0.7403(4) 0.1965(3) 0.38849(10) 0.087(2) Uani 1 1 d .
O9 O 0.5793(4) -0.0874(4) 0.4167 0.103(4) Uani 1 2 d S
C1 C 0.6175(4) 0.0768(5) 0.41978(13) 0.063(3) Uani 1 1 d .
C2 C 0.5731(5) 0.0868(5) 0.42712(15) 0.078(3) Uani 1 1 d .
C3 C 0.5285(5) 0.0467(6) 0.43615(18) 0.095(4) Uani 1 1 d .
H3 H 0.5241 0.0119 0.4374 0.114 Uiso 1 1 calc R
C4 C 0.4902(5) 0.0582(6) 0.44346(19) 0.105(5) Uani 1 1 d .
H4 H 0.4613 0.0313 0.4501 0.126 Uiso 1 1 calc R
C5 C 0.4937(5) 0.1079(5) 0.44122(16) 0.086(4) Uani 1 1 d .
C6 C 0.5381(5) 0.1477(6) 0.43208(17) 0.103(5) Uani 1 1 d .
H6 H 0.5411 0.1818 0.4303 0.124 Uiso 1 1 calc R
C7 C 0.5780(5) 0.1382(5) 0.42557(16) 0.088(4) Uani 1 1 d .
H7 H 0.6087 0.1665 0.4200 0.106 Uiso 1 1 calc R
C8 C 0.6555(4) 0.0275(5) 0.37710(12) 0.060(2) Uani 1 1 d .
C9 C 0.9583(4) 0.2988(5) 0.30826(13) 0.069(3) Uani 1 1 d .
C10 C 0.9266(5) 0.3026(6) 0.32135(13) 0.086(4) Uani 1 1 d .
H10 H 0.9077 0.3211 0.3192 0.104 Uiso 1 1 calc R
C11 C 0.9227(5) 0.2782(6) 0.33822(14) 0.097(4) Uani 1 1 d .
H11 H 0.8994 0.2790 0.3469 0.117 Uiso 1 1 calc R
C12 C 0.9526(4) 0.2536(6) 0.34200(14) 0.082(4) Uani 1 1 d .
C13 C 0.9844(6) 0.2503(7) 0.32858(17) 0.122(6) Uani 1 1 d .
H13 H 1.0042 0.2326 0.3308 0.146 Uiso 1 1 calc R
C14 C 0.9874(6) 0.2728(6) 0.31201(16) 0.100(5) Uani 1 1 d .
H14 H 1.0095 0.2705 0.3032 0.120 Uiso 1 1 calc R
C15 C 0.8491(4) 0.1418(4) 0.39560(11) 0.061(3) Uani 1 1 d .
C16 C 0.9022(4) 0.1749(5) 0.38591(12) 0.072(3) Uani 1 1 d .
C17 C 0.9503(4) 0.1822(5) 0.39294(13) 0.077(3) Uani 1 1 d .
H17 H 0.9501 0.1651 0.4037 0.092 Uiso 1 1 calc R
C18 C 0.9992(4) 0.2148(5) 0.38413(15) 0.087(4) Uani 1 1 d .
C19 C 0.9982(4) 0.2363(5) 0.36752(15) 0.089(4) Uani 1 1 d .
H19 H 1.0308 0.2560 0.3612 0.107 Uiso 1 1 calc R
C20 C 0.9503(4) 0.2295(6) 0.35997(14) 0.082(4) Uani 1 1 d .
C21 C 0.9018(4) 0.1996(5) 0.36943(12) 0.072(3) Uani 1 1 d .
H21 H 0.8693 0.1957 0.3649 0.087 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'
In In -0.7276 1.3100 '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
O7 In1 O5 93.4(2) . .
O7 In1 O1 93.3(2) . .
O5 In1 O1 173.3(3) . .
O7 In1 O8 177.6(2) . .
O5 In1 O8 87.4(3) . .
O1 In1 O8 85.9(3) . .
O7 In1 O3 96.0(2) . .
O5 In1 O3 89.9(3) . .
O1 In1 O3 88.8(3) . .
O8 In1 O3 86.2(3) . .
O7 In1 O6 91.4(2) . 10_545
O5 In1 O6 87.9(3) . 10_545
O1 In1 O6 92.6(3) . 10_545
O8 In1 O6 86.4(3) . 10_545
O3 In1 O6 172.4(2) . 10_545
O7 In2 O4 93.6(2) . .
O7 In2 O4 93.6(2) . 10_545
O4 In2 O4 172.7(5) . 10_545
O7 In2 O9 180.0(6) . .
O4 In2 O9 86.4(2) . .
O4 In2 O9 86.4(2) 10_545 .
O7 In2 O2 93.0(2) . 10_545
O4 In2 O2 89.6(3) . 10_545
O4 In2 O2 90.0(3) 10_545 10_545
O9 In2 O2 87.0(2) . 10_545
O7 In2 O2 93.0(2) . .
O4 In2 O2 90.0(3) . .
O4 In2 O2 89.6(3) 10_545 .
O9 In2 O2 87.0(2) . .
O2 In2 O2 174.1(4) 10_545 .
C1 O1 In1 131.6(6) . .
C1 O2 In2 134.3(7) . .
C8 O3 In1 132.4(6) . .
C8 O4 In2 134.1(7) . .
C15 O5 In1 128.7(5) . .
C15 O6 In1 137.5(6) . 10_545
In2 O7 In1 119.00(17) . 10_545
In2 O7 In1 119.00(17) . .
In1 O7 In1 122.0(4) 10_545 .
O2 C1 O1 128.2(9) . .
O2 C1 C2 115.1(10) . .
O1 C1 C2 116.7(10) . .
C3 C2 C7 118.1(10) . .
C3 C2 C1 121.6(10) . .
C7 C2 C1 120.3(10) . .
C2 C3 C4 119.9(11) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 121.9(11) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 118.0(10) . .
C4 C5 C18 120.3(10) . 11_455
C6 C5 C18 121.7(10) . 11_455
C7 C6 C5 121.1(11) . .
C7 C6 H6 119.5 . .
C5 C6 H6 119.5 . .
C6 C7 C2 120.9(11) . .
C6 C7 H7 119.6 . .
C2 C7 H7 119.6 . .
O4 C8 O3 126.9(9) . .
O4 C8 C9 114.4(9) . 32
O3 C8 C9 118.5(9) . 32
C10 C9 C14 119.1(9) . .
C10 C9 C8 121.3(10) . 33_545
C14 C9 C8 119.7(10) . 33_545
C9 C10 C11 119.7(11) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C12 C11 C10 121.0(11) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C13 118.3(10) . .
C11 C12 C20 121.5(10) . .
C13 C12 C20 120.1(10) . .
C14 C13 C12 120.9(12) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C13 C14 C9 120.9(11) . .
C13 C14 H14 119.6 . .
C9 C14 H14 119.6 . .
O6 C15 O5 126.0(8) . .
O6 C15 C16 116.9(8) . .
O5 C15 C16 117.0(8) . .
C17 C16 C21 120.5(9) . .
C17 C16 C15 121.0(8) . .
C21 C16 C15 118.5(8) . .
C16 C17 C18 120.1(9) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C19 118.9(9) . .
C17 C18 C5 120.8(9) . 11
C19 C18 C5 120.3(9) . 11
C20 C19 C18 122.4(9) . .
C20 C19 H19 118.8 . .
C18 C19 H19 118.8 . .
C19 C20 C21 118.3(9) . .
C19 C20 C12 119.1(9) . .
C21 C20 C12 122.6(9) . .
C20 C21 C16 119.6(9) . .
C20 C21 H21 120.2 . .
C16 C21 H21 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
In1 O7 2.039(3) .
In1 O5 2.144(6) .
In1 O1 2.156(6) .
In1 O8 2.172(7) .
In1 O3 2.182(6) .
In1 O6 2.201(6) 10_545
In2 O7 2.039(7) .
In2 O4 2.143(7) .
In2 O4 2.143(7) 10_545
In2 O9 2.152(11) .
In2 O2 2.170(7) 10_545
In2 O2 2.170(7) .
O1 C1 1.241(12) .
O2 C1 1.240(12) .
O3 C8 1.251(12) .
O4 C8 1.245(12) .
O5 C15 1.272(11) .
O6 C15 1.256(10) .
O6 In1 2.201(6) 10_545
O7 In1 2.039(3) 10_545
C1 C2 1.514(13) .
C2 C3 1.374(16) .
C2 C7 1.390(15) .
C3 C4 1.385(15) .
C3 H3 0.9300 .
C4 C5 1.363(16) .
C4 H4 0.9300 .
C5 C6 1.373(16) .
C5 C18 1.499(14) 11_455
C6 C7 1.369(14) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.523(12) 32
C9 C10 1.359(15) .
C9 C14 1.377(15) .
C9 C8 1.523(12) 33_545
C10 C11 1.408(13) .
C10 H10 0.9300 .
C11 C12 1.362(16) .
C11 H11 0.9300 .
C12 C13 1.377(16) .
C12 C20 1.487(13) .
C13 C14 1.370(14) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.493(13) .
C16 C17 1.372(13) .
C16 C21 1.412(12) .
C17 C18 1.381(14) .
C17 H17 0.9300 .
C18 C19 1.384(13) .
C18 C5 1.499(14) 11
C19 C20 1.383(14) .
C19 H19 0.9300 .
C20 C21 1.387(13) .
C21 H21 0.9300 .
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
O7 In1 O1 C1 -29.3(9) . .
O5 In1 O1 C1 145(2) . .
O8 In1 O1 C1 152.9(9) . .
O3 In1 O1 C1 66.6(9) . .
O6 In1 O1 C1 -120.8(9) 10_545 .
O7 In2 O2 C1 14.5(10) . .
O4 In2 O2 C1 -79.1(10) . .
O4 In2 O2 C1 108.1(10) 10_545 .
O9 In2 O2 C1 -165.5(10) . .
O2 In2 O2 C1 -165.5(10) 10_545 .
O7 In1 O3 C8 12.9(9) . .
O5 In1 O3 C8 106.3(9) . .
O1 In1 O3 C8 -80.3(9) . .
O8 In1 O3 C8 -166.3(9) . .
O6 In1 O3 C8 179(100) 10_545 .
O7 In2 O4 C8 -34.8(11) . .
O4 In2 O4 C8 145.2(11) 10_545 .
O9 In2 O4 C8 145.2(11) . .
O2 In2 O4 C8 -127.8(11) 10_545 .
O2 In2 O4 C8 58.2(11) . .
O7 In1 O5 C15 -42.9(9) . .
O1 In1 O5 C15 143(2) . .
O8 In1 O5 C15 134.8(9) . .
O3 In1 O5 C15 -138.9(9) . .
O6 In1 O5 C15 48.3(9) 10_545 .
O4 In2 O7 In1 -134.4(2) . 10_545
O4 In2 O7 In1 45.6(2) 10_545 10_545
O9 In2 O7 In1 143.826(17) . 10_545
O2 In2 O7 In1 -44.6(2) 10_545 10_545
O2 In2 O7 In1 135.4(2) . 10_545
O4 In2 O7 In1 45.6(2) . .
O4 In2 O7 In1 -134.4(2) 10_545 .
O9 In2 O7 In1 -36.167(17) . .
O2 In2 O7 In1 135.4(2) 10_545 .
O2 In2 O7 In1 -44.6(2) . .
O5 In1 O7 In2 -129.84(19) . .
O1 In1 O7 In2 49.5(2) . .
O8 In1 O7 In2 121(7) . .
O3 In1 O7 In2 -39.63(19) . .
O6 In1 O7 In2 142.2(2) 10_545 .
O5 In1 O7 In1 50.17(19) . 10_545
O1 In1 O7 In1 -130.5(2) . 10_545
O8 In1 O7 In1 -59(7) . 10_545
O3 In1 O7 In1 140.37(19) . 10_545
O6 In1 O7 In1 -37.8(2) 10_545 10_545
In2 O2 C1 O1 6.7(18) . .
In2 O2 C1 C2 -170.3(7) . .
In1 O1 C1 O2 2.7(17) . .
In1 O1 C1 C2 179.7(7) . .
O2 C1 C2 C3 6.9(17) . .
O1 C1 C2 C3 -170.4(12) . .
O2 C1 C2 C7 -176.1(11) . .
O1 C1 C2 C7 6.6(17) . .
C7 C2 C3 C4 0(2) . .
C1 C2 C3 C4 176.8(13) . .
C2 C3 C4 C5 3(2) . .
C3 C4 C5 C6 -3(2) . .
C3 C4 C5 C18 179.4(14) . 11_455
C4 C5 C6 C7 -1(2) . .
C18 C5 C6 C7 177.0(13) 11_455 .
C5 C6 C7 C2 4(2) . .
C3 C2 C7 C6 -3(2) . .
C1 C2 C7 C6 179.7(12) . .
In2 O4 C8 O3 12.7(18) . .
In2 O4 C8 C9 -171.8(7) . 32
In1 O3 C8 O4 1.2(16) . .
In1 O3 C8 C9 -174.1(6) . 32
C14 C9 C10 C11 -2(2) . .
C8 C9 C10 C11 177.0(12) 33_545 .
C9 C10 C11 C12 4(2) . .
C10 C11 C12 C13 -4(2) . .
C10 C11 C12 C20 177.8(13) . .
C11 C12 C13 C14 2(3) . .
C20 C12 C13 C14 -179.3(15) . .
C12 C13 C14 C9 -1(3) . .
C10 C9 C14 C13 1(2) . .
C8 C9 C14 C13 -178.5(14) 33_545 .
In1 O6 C15 O5 1.7(19) 10_545 .
In1 O6 C15 C16 178.4(8) 10_545 .
In1 O5 C15 O6 21.1(17) . .
In1 O5 C15 C16 -155.7(8) . .
O6 C15 C16 C17 -3.8(17) . .
O5 C15 C16 C17 173.2(11) . .
O6 C15 C16 C21 177.2(11) . .
O5 C15 C16 C21 -5.8(17) . .
C21 C16 C17 C18 2(2) . .
C15 C16 C17 C18 -177.4(13) . .
C16 C17 C18 C19 -5(2) . .
C16 C17 C18 C5 176.8(13) . 11
C17 C18 C19 C20 5(2) . .
C5 C18 C19 C20 -177.1(14) 11 .
C18 C19 C20 C21 -1(2) . .
C18 C19 C20 C12 -179.6(14) . .
C11 C12 C20 C19 -139.7(15) . .
C13 C12 C20 C19 42(2) . .
C11 C12 C20 C21 41(2) . .
C13 C12 C20 C21 -137.2(16) . .
C19 C20 C21 C16 -3(2) . .
C12 C20 C21 C16 176.0(13) . .
C17 C16 C21 C20 2(2) . .
C15 C16 C21 C20 -178.5(12) . .
