#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:34:05 +0200 (lun 06 de sep de 2021) $
#$Revision: 268695 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/25/7242541.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_7242541
loop_
_publ_author_name
'Shu, Yuanhong'
'Ye, Kaiqi'
'Yue, Yuan'
'Sun, Jingbo'
'Wang, Haoran'
'Zhong, Jiangbin'
'Yang, Xiqiao'
'Gao, Hongqiang'
'Lu, Ran'
_publ_section_title
;
 Fluorine as a robust balancer for tuning the reactivity of
 topo-photoreactions of chalcones and the photomechanical effects of
 molecular crystals
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              5856
_journal_page_last               5868
_journal_paper_doi               10.1039/D1CE00086A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C32 H24 F4 O4'
_chemical_formula_sum            'C32 H24 F4 O4'
_chemical_formula_weight         548.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2018-05-25
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.18 svn.r3508 for OlexSys, GUI svn.r5497)
;
_audit_update_record
;
2021-03-11 deposited with the CCDC.	2021-03-26 downloaded from the CCDC.
;
_cell_angle_alpha                115.013(4)
_cell_angle_beta                 92.409(4)
_cell_angle_gamma                91.562(4)
_cell_formula_units_Z            2
_cell_length_a                   9.0972(9)
_cell_length_b                   11.7453(13)
_cell_length_c                   13.5987(15)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.474
_cell_measurement_theta_min      2.877
_cell_volume                     1313.9(2)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            42961
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.529
_diffrn_reflns_theta_min         2.709
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.109
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_description       needle
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.0073(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0431P)²+0.3803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3932
_reflns_number_total             6038
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00086a31.cif
_cod_data_source_block           D-2FChOMe-4
_cod_depositor_comments
'Adding full bibliography for 7242537--7242549.cif.'
_cod_database_code               7242541
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.988
_shelx_estimated_absorpt_t_min   0.966
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C8(H8), C16(H16), C23(H23)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C11(H11), C12(H12), C18(H18), C20(H20), C22(H22), C24(H24),
 C25(H25), C27(H27), C29(H29), C31(H31), C32(H32), C33(H33)
2.c Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c), C15(H15a,H15b,H15c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O0AA O 0.72296(16) 0.38045(13) 0.45208(12) 0.0660(4) Uani 1 1 d . . . . .
F2 F 0.86952(16) 0.97760(12) 0.42164(13) 0.0903(4) Uani 1 1 d . . . . .
F3 F 0.50492(17) 1.00231(14) 0.66080(11) 0.0990(5) Uani 1 1 d . . . . .
O4 O 0.65963(15) 0.26468(12) 0.16587(12) 0.0644(4) Uani 1 1 d . . . . .
F5 F 0.10773(13) 0.70276(14) 0.31374(12) 0.0893(4) Uani 1 1 d . . . . .
O1 O 1.25598(14) 0.07467(13) 0.20689(12) 0.0675(4) Uani 1 1 d . . . . .
F0AA F 0.42421(16) 0.6914(2) 0.04813(14) 0.1181(6) Uani 1 1 d . . . . .
C1 C 1.3762(3) 0.1063(3) 0.1580(2) 0.0885(8) Uani 1 1 d . . . . .
H1A H 1.3397 0.1407 0.1095 0.133 Uiso 1 1 calc GR . . . .
H1B H 1.4282 0.0322 0.1180 0.133 Uiso 1 1 calc GR . . . .
H1C H 1.4417 0.1675 0.2135 0.133 Uiso 1 1 calc GR . . . .
C2 C 1.16233(19) 0.16579(18) 0.26091(15) 0.0499(4) Uani 1 1 d . . . . .
C3 C 1.17316(19) 0.28793(18) 0.27145(16) 0.0516(5) Uani 1 1 d . . . . .
H3 H 1.2533 0.3157 0.2457 0.062 Uiso 1 1 calc R . . . .
C4 C 1.06329(18) 0.36858(17) 0.32079(15) 0.0473(4) Uani 1 1 d . . . . .
H4 H 1.0701 0.4505 0.3269 0.057 Uiso 1 1 calc R . . . .
C5 C 0.94330(18) 0.33075(16) 0.36139(13) 0.0419(4) Uani 1 1 d . . . . .
C6 C 0.81496(19) 0.40823(16) 0.40234(14) 0.0440(4) Uani 1 1 d . . . . .
C7 C 0.79462(17) 0.51974(15) 0.37505(13) 0.0393(4) Uani 1 1 d . . . . .
H7 H 0.8832 0.5758 0.3935 0.047 Uiso 1 1 calc R . . . .
C8 C 0.72937(16) 0.48139(15) 0.25476(13) 0.0379(4) Uani 1 1 d . . . . .
H8 H 0.7645 0.5418 0.2277 0.046 Uiso 1 1 calc R . . . .
C9 C 0.74674(18) 0.34780(16) 0.17098(13) 0.0419(4) Uani 1 1 d . . . . .
C10 C 0.87291(17) 0.31870(15) 0.09993(13) 0.0396(4) Uani 1 1 d . . . . .
C11 C 0.9706(2) 0.41044(17) 0.09774(15) 0.0511(4) Uani 1 1 d . . . . .
H11 H 0.9556 0.4948 0.1402 0.061 Uiso 1 1 calc R . . . .
C12 C 1.0893(2) 0.3783(2) 0.03364(17) 0.0623(5) Uani 1 1 d . . . . .
H12 H 1.1540 0.4410 0.0337 0.075 Uiso 1 1 calc R . . . .
C13 C 1.1131(2) 0.2538(2) -0.03068(16) 0.0590(5) Uani 1 1 d . . . . .
O14 O 1.23353(17) 0.23382(17) -0.09105(14) 0.0934(6) Uani 1 1 d . . . . .
C15 C 1.2725(3) 0.1084(3) -0.1533(2) 0.1060(10) Uani 1 1 d . . . . .
H15A H 1.2858 0.0665 -0.1065 0.159 Uiso 1 1 calc GR . . . .
H15B H 1.3626 0.1091 -0.1874 0.159 Uiso 1 1 calc GR . . . .
H15C H 1.1955 0.0646 -0.2080 0.159 Uiso 1 1 calc GR . . . .
C16 C 0.65410(17) 0.59112(16) 0.41856(13) 0.0414(4) Uani 1 1 d . . . . .
H16 H 0.6108 0.5664 0.4719 0.050 Uiso 1 1 calc R . . . .
C17 C 0.66725(18) 0.73165(16) 0.45935(13) 0.0420(4) Uani 1 1 d . . . . .
C18 C 0.76633(19) 0.79195(17) 0.41936(15) 0.0485(4) Uani 1 1 d . . . . .
H18 H 0.8269 0.7455 0.3645 0.058 Uiso 1 1 calc R . . . .
C19 C 0.7732(2) 0.92080(19) 0.46208(17) 0.0589(5) Uani 1 1 d . . . . .
C20 C 0.6886(3) 0.9948(2) 0.54348(18) 0.0684(6) Uani 1 1 d . . . . .
H20 H 0.6963 1.0822 0.5720 0.082 Uiso 1 1 calc R . . . .
C21 C 0.5920(2) 0.9330(2) 0.58039(16) 0.0645(6) Uani 1 1 d . . . . .
C22 C 0.5780(2) 0.80447(19) 0.54075(15) 0.0530(5) Uani 1 1 d . . . . .
H22 H 0.5097 0.7666 0.5680 0.064 Uiso 1 1 calc R . . . .
C23 C 0.57711(17) 0.51561(16) 0.30145(13) 0.0409(4) Uani 1 1 d . . . . .
H23 H 0.5276 0.4394 0.2993 0.049 Uiso 1 1 calc R . . . .
C24 C 0.8987(2) 0.19424(17) 0.03464(15) 0.0510(4) Uani 1 1 d . . . . .
H24 H 0.8345 0.1313 0.0347 0.061 Uiso 1 1 calc R . . . .
C25 C 1.0175(2) 0.16078(19) -0.03069(16) 0.0581(5) Uani 1 1 d . . . . .
H25 H 1.0325 0.0766 -0.0740 0.070 Uiso 1 1 calc R . . . .
C26 C 0.46983(17) 0.57936(16) 0.25656(14) 0.0425(4) Uani 1 1 d . . . . .
C27 C 0.4978(2) 0.6063(2) 0.16929(16) 0.0587(5) Uani 1 1 d . . . . .
H27 H 0.5857 0.5843 0.1349 0.070 Uiso 1 1 calc R . . . .
C28 C 0.3943(2) 0.6658(2) 0.13390(18) 0.0688(6) Uani 1 1 d . . . . .
C29 C 0.2627(2) 0.7004(2) 0.18009(18) 0.0646(6) Uani 1 1 d . . . . .
H29 H 0.1944 0.7409 0.1550 0.078 Uiso 1 1 calc R . . . .
C30 C 0.23834(19) 0.67161(19) 0.26559(17) 0.0566(5) Uani 1 1 d . . . . .
C31 C 0.33671(18) 0.61350(17) 0.30555(15) 0.0498(4) Uani 1 1 d . . . . .
H31 H 0.3151 0.5970 0.3646 0.060 Uiso 1 1 calc R . . . .
C32 C 0.9401(2) 0.20889(17) 0.35552(15) 0.0507(4) Uani 1 1 d . . . . .
H32 H 0.8638 0.1824 0.3855 0.061 Uiso 1 1 calc R . . . .
C33 C 1.0476(2) 0.12802(18) 0.30630(17) 0.0549(5) Uani 1 1 d . . . . .
H33 H 1.0437 0.0474 0.3033 0.066 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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C2 O1 C1 118.31(17) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.08(17) . . ?
O1 C2 C33 115.11(17) . . ?
C3 C2 C33 119.80(17) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.18(17) . . ?
C4 C3 H3 120.4 . . ?
C3 C4 H4 119.0 . . ?
C3 C4 C5 121.91(17) . . ?
C5 C4 H4 119.0 . . ?
C4 C5 C6 123.60(15) . . ?
C4 C5 C32 117.51(16) . . ?
C32 C5 C6 118.72(15) . . ?
O0AA C6 C5 121.34(15) . . ?
O0AA C6 C7 120.14(15) . . ?
C5 C6 C7 118.41(14) . . ?
C6 C7 H7 112.7 . . ?
C6 C7 C8 113.48(13) . . ?
C6 C7 C16 113.96(13) . . ?
C8 C7 H7 112.7 . . ?
C16 C7 H7 112.7 . . ?
C16 C7 C8 89.29(11) . . ?
C7 C8 H8 110.4 . . ?
C9 C8 C7 118.12(13) . . ?
C9 C8 H8 110.4 . . ?
C9 C8 C23 117.80(13) . . ?
C23 C8 C7 87.92(11) . . ?
C23 C8 H8 110.4 . . ?
O4 C9 C8 119.24(15) . . ?
O4 C9 C10 120.73(15) . . ?
C10 C9 C8 119.96(14) . . ?
C11 C10 C9 123.21(15) . . ?
C24 C10 C9 119.16(15) . . ?
C24 C10 C11 117.61(16) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.96(17) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.52(18) . . ?
C13 C12 H12 119.7 . . ?
O14 C13 C12 115.11(19) . . ?
O14 C13 C25 125.09(19) . . ?
C25 C13 C12 119.80(17) . . ?
C13 O14 C15 118.8(2) . . ?
O14 C15 H15A 109.5 . . ?
O14 C15 H15B 109.5 . . ?
O14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C16 H16 111.4 . . ?
C7 C16 C23 87.95(12) . . ?
C17 C16 C7 116.36(13) . . ?
C17 C16 H16 111.4 . . ?
C17 C16 C23 116.37(13) . . ?
C23 C16 H16 111.4 . . ?
C18 C17 C16 122.60(15) . . ?
C22 C17 C16 118.72(16) . . ?
C22 C17 C18 118.68(17) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 C17 119.04(18) . . ?
C19 C18 H18 120.5 . . ?
F2 C19 C18 118.15(19) . . ?
F2 C19 C20 118.33(19) . . ?
C20 C19 C18 123.5(2) . . ?
C19 C20 H20 122.0 . . ?
C21 C20 C19 116.02(19) . . ?
C21 C20 H20 122.0 . . ?
F3 C21 C20 118.3(2) . . ?
F3 C21 C22 118.1(2) . . ?
C20 C21 C22 123.66(19) . . ?
C17 C22 H22 120.5 . . ?
C21 C22 C17 119.07(19) . . ?
C21 C22 H22 120.5 . . ?
C8 C23 C16 89.73(12) . . ?
C8 C23 H23 108.2 . . ?
C16 C23 H23 108.2 . . ?
C26 C23 C8 121.13(14) . . ?
C26 C23 C16 119.65(14) . . ?
C26 C23 H23 108.2 . . ?
C10 C24 H24 119.0 . . ?
C10 C24 C25 121.92(17) . . ?
C25 C24 H24 119.0 . . ?
C13 C25 C24 119.18(18) . . ?
C13 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C27 C26 C23 122.96(15) . . ?
C27 C26 C31 118.53(16) . . ?
C31 C26 C23 118.50(15) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.28(18) . . ?
C28 C27 H27 120.4 . . ?
F0AA C28 C27 118.26(19) . . ?
F0AA C28 C29 118.12(19) . . ?
C29 C28 C27 123.6(2) . . ?
C28 C29 H29 122.2 . . ?
C30 C29 C28 115.53(18) . . ?
C30 C29 H29 122.2 . . ?
F5 C30 C29 117.85(18) . . ?
F5 C30 C31 118.19(19) . . ?
C29 C30 C31 123.96(18) . . ?
C26 C31 H31 120.5 . . ?
C30 C31 C26 119.07(18) . . ?
C30 C31 H31 120.5 . . ?
C5 C32 H32 119.5 . . ?
C33 C32 C5 121.04(17) . . ?
C33 C32 H32 119.5 . . ?
C2 C33 H33 119.8 . . ?
C32 C33 C2 120.34(17) . . ?
C32 C33 H33 119.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O0AA C6 1.218(2) . ?
F2 C19 1.354(2) . ?
F3 C21 1.357(2) . ?
O4 C9 1.217(2) . ?
F5 C30 1.364(2) . ?
O1 C1 1.422(3) . ?
O1 C2 1.360(2) . ?
F0AA C28 1.358(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.380(3) . ?
C2 C33 1.388(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(2) . ?
C5 C6 1.478(2) . ?
C5 C32 1.399(2) . ?
C6 C7 1.518(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.585(2) . ?
C7 C16 1.546(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.517(2) . ?
C8 C23 1.540(2) . ?
C9 C10 1.484(2) . ?
C10 C11 1.389(2) . ?
C10 C24 1.385(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.375(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.379(3) . ?
C13 O14 1.362(2) . ?
C13 C25 1.378(3) . ?
O14 C15 1.418(3) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16 0.9800 . ?
C16 C17 1.502(2) . ?
C16 C23 1.578(2) . ?
C17 C18 1.393(2) . ?
C17 C22 1.389(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.371(3) . ?
C19 C20 1.367(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.365(3) . ?
C21 C22 1.371(3) . ?
C22 H22 0.9300 . ?
C23 H23 0.9800 . ?
C23 C26 1.504(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.385(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.383(2) . ?
C26 C31 1.393(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.374(3) . ?
C28 C29 1.366(3) . ?
C29 H29 0.9300 . ?
C29 C30 1.366(3) . ?
C30 C31 1.367(3) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.369(3) . ?
C33 H33 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O0AA C6 C7 C8 -98.62(19) . . . . ?
O0AA C6 C7 C16 1.7(2) . . . . ?
F2 C19 C20 C21 179.18(18) . . . . ?
F3 C21 C22 C17 -179.23(16) . . . . ?
O4 C9 C10 C11 176.12(18) . . . . ?
O4 C9 C10 C24 -6.0(2) . . . . ?
F5 C30 C31 C26 179.12(16) . . . . ?
O1 C2 C3 C4 174.59(17) . . . . ?
O1 C2 C33 C32 -175.04(17) . . . . ?
F0AA C28 C29 C30 179.6(2) . . . . ?
C1 O1 C2 C3 0.8(3) . . . . ?
C1 O1 C2 C33 179.89(19) . . . . ?
C2 C3 C4 C5 0.9(3) . . . . ?
C3 C2 C33 C32 4.1(3) . . . . ?
C3 C4 C5 C6 -172.24(17) . . . . ?
C3 C4 C5 C32 3.0(3) . . . . ?
C4 C5 C6 O0AA -168.76(18) . . . . ?
C4 C5 C6 C7 15.0(2) . . . . ?
C4 C5 C32 C33 -3.4(3) . . . . ?
C5 C6 C7 C8 77.70(18) . . . . ?
C5 C6 C7 C16 177.97(14) . . . . ?
C5 C32 C33 C2 -0.1(3) . . . . ?
C6 C5 C32 C33 172.09(17) . . . . ?
C6 C7 C8 C9 -21.86(19) . . . . ?
C6 C7 C8 C23 98.78(14) . . . . ?
C6 C7 C16 C17 142.66(15) . . . . ?
C6 C7 C16 C23 -98.77(15) . . . . ?
C7 C8 C9 O4 82.6(2) . . . . ?
C7 C8 C9 C10 -94.55(17) . . . . ?
C7 C8 C23 C16 16.80(11) . . . . ?
C7 C8 C23 C26 141.90(15) . . . . ?
C7 C16 C17 C18 28.6(2) . . . . ?
C7 C16 C17 C22 -150.86(15) . . . . ?
C7 C16 C23 C8 -17.23(12) . . . . ?
C7 C16 C23 C26 -143.54(14) . . . . ?
C8 C7 C16 C17 -101.84(15) . . . . ?
C8 C7 C16 C23 16.73(11) . . . . ?
C8 C9 C10 C11 -6.7(2) . . . . ?
C8 C9 C10 C24 171.14(15) . . . . ?
C8 C23 C26 C27 2.7(3) . . . . ?
C8 C23 C26 C31 -176.92(15) . . . . ?
C9 C8 C23 C16 137.73(14) . . . . ?
C9 C8 C23 C26 -97.16(18) . . . . ?
C9 C10 C11 C12 177.37(17) . . . . ?
C9 C10 C24 C25 -177.79(17) . . . . ?
C10 C11 C12 C13 0.5(3) . . . . ?
C10 C24 C25 C13 0.2(3) . . . . ?
C11 C10 C24 C25 0.2(3) . . . . ?
C11 C12 C13 O14 179.56(19) . . . . ?
C11 C12 C13 C25 -0.1(3) . . . . ?
C12 C13 O14 C15 175.3(2) . . . . ?
C12 C13 C25 C24 -0.3(3) . . . . ?
O14 C13 C25 C24 -179.8(2) . . . . ?
C16 C7 C8 C9 -137.81(14) . . . . ?
C16 C7 C8 C23 -17.16(12) . . . . ?
C16 C17 C18 C19 -179.00(16) . . . . ?
C16 C17 C22 C21 178.34(16) . . . . ?
C16 C23 C26 C27 112.40(19) . . . . ?
C16 C23 C26 C31 -67.2(2) . . . . ?
C17 C16 C23 C8 101.34(15) . . . . ?
C17 C16 C23 C26 -25.0(2) . . . . ?
C17 C18 C19 F2 -179.58(16) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C18 C17 C22 C21 -1.2(3) . . . . ?
C18 C19 C20 C21 -1.1(3) . . . . ?
C19 C20 C21 F3 -179.66(18) . . . . ?
C19 C20 C21 C22 0.3(3) . . . . ?
C20 C21 C22 C17 0.8(3) . . . . ?
C22 C17 C18 C19 0.5(3) . . . . ?
C23 C8 C9 O4 -21.0(2) . . . . ?
C23 C8 C9 C10 161.85(14) . . . . ?
C23 C16 C17 C18 -73.0(2) . . . . ?
C23 C16 C17 C22 107.53(17) . . . . ?
C23 C26 C27 C28 -179.41(19) . . . . ?
C23 C26 C31 C30 179.93(16) . . . . ?
C24 C10 C11 C12 -0.6(3) . . . . ?
C25 C13 O14 C15 -5.0(3) . . . . ?
C26 C27 C28 F0AA 179.9(2) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C27 C26 C31 C30 0.3(3) . . . . ?
C27 C28 C29 C30 -0.2(3) . . . . ?
C28 C29 C30 F5 -179.19(19) . . . . ?
C28 C29 C30 C31 0.8(3) . . . . ?
C29 C30 C31 C26 -0.8(3) . . . . ?
C31 C26 C27 C28 0.2(3) . . . . ?
C32 C5 C6 O0AA 16.1(3) . . . . ?
C32 C5 C6 C7 -160.20(16) . . . . ?
C33 C2 C3 C4 -4.4(3) . . . . ?
