#------------------------------------------------------------------------------
#$Date: 2019-11-11 20:50:36 +0200 (Mon, 11 Nov 2019) $
#$Revision: 227322 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/59/4035929.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_4035929
loop_
_publ_author_name
'Chai, Guo-Li'
'Zhu, Bo'
'Chang, Junbiao'
_publ_section_title
;
 Synthesis and Application of Substituted 1,16-Dihydroxytetraphenylenes in
 Catalytic Asymmetric Allylboration of Ketones.
;
_journal_issue                   1
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              120
_journal_page_last               127
_journal_paper_doi               10.1021/acs.joc.8b02475
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C24 H12 Br2 O2'
_chemical_formula_sum            'C24 H12 Br2 O2'
_chemical_formula_weight         492.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-12-24
_audit_creation_method
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_cell_angle_alpha                90
_cell_angle_beta                 104.866(7)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   22.832(8)
_cell_length_b                   13.024(5)
_cell_length_c                   20.260(8)
_cell_measurement_reflns_used    1762
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.71
_cell_measurement_theta_min      2.40
_cell_volume                     5823(4)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1390
_diffrn_reflns_av_unetI/netI     0.1668
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23782
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.043
_diffrn_reflns_theta_min         1.816
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.193
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1231 before and 0.0511 after correction.
The Ratio of minimum to maximum transmission is 0.5687.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       block
_exptl_crystal_F_000             2904
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.739
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6910
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.1995
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0474P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1378
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2713
_reflns_number_total             6910
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo8b02475_si_001.cif
_cod_data_source_block           mo_dm15933_0m
_cod_database_code               4035929
_shelxl_version_number           2014-3
_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   0.420
_shelx_estimated_absorpt_t_min   0.338
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C20(H20), C21(H21), C28(H28), C29(H29), C32(H32), C33(H33),
  C34(H34), C35(H35)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Br1 Br 0.38450(3) -0.10295(6) 0.01014(4) 0.0704(3) Uani 1 1 d .
Br2 Br 0.02993(4) -0.03458(5) -0.16577(4) 0.0786(3) Uani 1 1 d .
O1 O 0.24867(17) -0.1412(3) -0.0163(2) 0.0501(11) Uani 1 1 d .
O2 O 0.15934(18) 0.0230(3) -0.0934(2) 0.0563(12) Uani 1 1 d .
C1 C 0.2234(2) 0.0032(4) 0.0411(3) 0.0368(15) Uani 1 1 d .
C2 C 0.2668(3) -0.0550(4) 0.0213(3) 0.0393(15) Uani 1 1 d .
C3 C 0.3265(3) -0.0236(5) 0.0388(3) 0.0436(16) Uani 1 1 d .
C4 C 0.3437(3) 0.0632(5) 0.0773(3) 0.0471(17) Uani 1 1 d .
H4 H 0.3842 0.0828 0.0899 0.057 Uiso 1 1 calc R
C5 C 0.3012(3) 0.1206(4) 0.0968(3) 0.0447(16) Uani 1 1 d .
H5 H 0.3128 0.1801 0.1222 0.054 Uiso 1 1 calc R
C6 C 0.2408(2) 0.0912(4) 0.0793(3) 0.0353(14) Uani 1 1 d .
C7 C 0.1943(2) 0.1535(4) 0.0999(3) 0.0368(15) Uani 1 1 d .
C8 C 0.1840(3) 0.2536(5) 0.0734(3) 0.0533(17) Uani 1 1 d .
H8 H 0.2062 0.2790 0.0444 0.064 Uiso 1 1 calc R
C9 C 0.1406(3) 0.3133(5) 0.0907(4) 0.062(2) Uani 1 1 d .
H9 H 0.1337 0.3794 0.0731 0.074 Uiso 1 1 calc R
C10 C 0.1075(3) 0.2778(5) 0.1332(4) 0.060(2) Uani 1 1 d .
H10 H 0.0776 0.3186 0.1436 0.072 Uiso 1 1 calc R
C11 C 0.1187(2) 0.1816(5) 0.1601(3) 0.0465(16) Uani 1 1 d .
H11 H 0.0969 0.1584 0.1901 0.056 Uiso 1 1 calc R
C12 C 0.1615(2) 0.1173(4) 0.1442(3) 0.0375(15) Uani 1 1 d .
C13 C 0.1725(2) 0.0147(5) 0.1755(3) 0.0425(16) Uani 1 1 d .
C14 C 0.1950(3) 0.0052(5) 0.2446(4) 0.0560(18) Uani 1 1 d .
H14 H 0.2045 0.0640 0.2711 0.067 Uiso 1 1 calc R
C15 C 0.2037(3) -0.0896(7) 0.2757(4) 0.075(2) Uani 1 1 d .
H15 H 0.2198 -0.0942 0.3227 0.090 Uiso 1 1 calc R
C16 C 0.1888(4) -0.1775(6) 0.2373(4) 0.075(2) Uani 1 1 d .
H16 H 0.1955 -0.2417 0.2580 0.091 Uiso 1 1 calc R
C17 C 0.1644(3) -0.1694(5) 0.1693(4) 0.062(2) Uani 1 1 d .
H17 H 0.1525 -0.2287 0.1438 0.075 Uiso 1 1 calc R
C18 C 0.1567(3) -0.0746(5) 0.1365(3) 0.0424(16) Uani 1 1 d .
C19 C 0.1290(3) -0.0689(4) 0.0630(3) 0.0416(16) Uani 1 1 d .
C20 C 0.0695(3) -0.1037(4) 0.0374(4) 0.0542(18) Uani 1 1 d .
H20 H 0.0494 -0.1335 0.0671 0.065 Uiso 1 1 calc R
C21 C 0.0403(3) -0.0946(5) -0.0307(4) 0.0574(19) Uani 1 1 d .
H21 H 0.0006 -0.1170 -0.0471 0.069 Uiso 1 1 calc R
C22 C 0.0705(3) -0.0523(4) -0.0733(3) 0.0456(16) Uani 1 1 d .
C23 C 0.1297(3) -0.0191(4) -0.0505(3) 0.0410(16) Uani 1 1 d .
C24 C 0.1589(2) -0.0286(4) 0.0178(3) 0.0351(14) Uani 1 1 d .
Br3 Br 0.32805(3) -0.25015(5) 0.14529(4) 0.0586(2) Uani 1 1 d .
O3 O 0.46373(16) -0.2061(3) 0.1763(2) 0.0517(12) Uani 1 1 d .
C25 C 0.4660(2) -0.0587(4) 0.2446(3) 0.0348(14) Uani 1 1 d .
C26 C 0.4335(3) -0.1370(4) 0.2051(3) 0.0389(15) Uani 1 1 d .
C27 C 0.3720(3) -0.1405(4) 0.1972(3) 0.0392(15) Uani 1 1 d .
C28 C 0.3425(3) -0.0698(5) 0.2262(3) 0.0484(17) Uani 1 1 d .
H28 H 0.3008 -0.0746 0.2203 0.058 Uiso 1 1 calc R
C29 C 0.3748(3) 0.0089(4) 0.2643(3) 0.0461(17) Uani 1 1 d .
H29 H 0.3547 0.0587 0.2830 0.055 Uiso 1 1 calc R
C30 C 0.4368(3) 0.0141(4) 0.2746(3) 0.0373(15) Uani 1 1 d .
C31 C 0.4724(3) 0.0970(4) 0.3168(3) 0.0418(16) Uani 1 1 d .
C32 C 0.4765(3) 0.1008(5) 0.3853(4) 0.0540(18) Uani 1 1 d .
H32 H 0.4564 0.0519 0.4048 0.065 Uiso 1 1 calc R
C33 C 0.5094(3) 0.1749(6) 0.4252(4) 0.064(2) Uani 1 1 d .
H33 H 0.5120 0.1763 0.4718 0.076 Uiso 1 1 calc R
C34 C 0.5393(3) 0.2485(5) 0.3967(4) 0.065(2) Uani 1 1 d .
H34 H 0.5620 0.2994 0.4239 0.078 Uiso 1 1 calc R
C35 C 0.5352(3) 0.2458(4) 0.3292(4) 0.060(2) Uani 1 1 d .
H35 H 0.5549 0.2959 0.3103 0.072 Uiso 1 1 calc R
C36 C 0.5023(3) 0.1705(4) 0.2869(3) 0.0499(18) Uani 1 1 d .
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'
Br Br -0.2901 2.4595 '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'
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_3
C2 C1 C24 118.7(5) .
C6 C1 C2 119.4(5) .
C6 C1 C24 121.9(5) .
O1 C2 C1 118.4(5) .
O1 C2 C3 121.8(5) .
C3 C2 C1 119.8(5) .
C2 C3 Br1 119.0(5) .
C4 C3 Br1 120.4(5) .
C4 C3 C2 120.6(6) .
C3 C4 H4 120.1 .
C5 C4 C3 119.8(6) .
C5 C4 H4 120.1 .
C4 C5 H5 119.7 .
C4 C5 C6 120.6(6) .
C6 C5 H5 119.7 .
C1 C6 C5 119.8(5) .
C1 C6 C7 119.3(5) .
C5 C6 C7 120.9(5) .
C8 C7 C6 117.6(6) .
C12 C7 C6 122.8(5) .
C12 C7 C8 119.6(6) .
C7 C8 H8 120.4 .
C9 C8 C7 119.2(6) .
C9 C8 H8 120.4 .
C8 C9 H9 119.3 .
C10 C9 C8 121.5(6) .
C10 C9 H9 119.3 .
C9 C10 H10 120.5 .
C9 C10 C11 119.1(6) .
C11 C10 H10 120.5 .
C10 C11 H11 118.9 .
C10 C11 C12 122.2(6) .
C12 C11 H11 118.9 .
C7 C12 C13 121.6(5) .
C11 C12 C7 118.3(5) .
C11 C12 C13 120.0(6) .
C14 C13 C12 120.1(6) .
C14 C13 C18 118.4(6) .
C18 C13 C12 121.3(6) .
C13 C14 H14 119.2 .
C13 C14 C15 121.5(7) .
C15 C14 H14 119.2 .
C14 C15 H15 120.0 .
C16 C15 C14 120.0(7) .
C16 C15 H15 120.0 .
C15 C16 H16 120.4 .
C17 C16 C15 119.2(7) .
C17 C16 H16 120.4 .
C16 C17 H17 119.2 .
C16 C17 C18 121.7(7) .
C18 C17 H17 119.2 .
C13 C18 C19 120.9(5) .
C17 C18 C13 119.0(6) .
C17 C18 C19 120.0(6) .
C20 C19 C18 119.0(6) .
C24 C19 C18 122.6(5) .
C24 C19 C20 118.4(6) .
C19 C20 H20 119.4 .
C21 C20 C19 121.2(6) .
C21 C20 H20 119.4 .
C20 C21 H21 120.6 .
C22 C21 C20 118.7(6) .
C22 C21 H21 120.6 .
C21 C22 Br2 119.0(5) .
C21 C22 C23 122.0(6) .
C23 C22 Br2 119.0(5) .
O2 C23 C22 121.5(6) .
O2 C23 C24 119.4(5) .
C24 C23 C22 119.1(6) .
C19 C24 C1 120.9(5) .
C23 C24 C1 118.6(5) .
C23 C24 C19 120.5(5) .
C26 C25 C25 117.5(5) 2_655
C26 C25 C30 120.6(5) .
C30 C25 C25 121.8(5) 2_655
O3 C26 C25 118.7(5) .
O3 C26 C27 123.1(5) .
C27 C26 C25 118.2(5) .
C26 C27 Br3 118.0(5) .
C28 C27 Br3 119.8(4) .
C28 C27 C26 122.2(5) .
C27 C28 H28 120.2 .
C27 C28 C29 119.5(5) .
C29 C28 H28 120.2 .
C28 C29 H29 119.9 .
C28 C29 C30 120.2(6) .
C30 C29 H29 119.9 .
C25 C30 C31 119.8(5) .
C29 C30 C25 119.3(5) .
C29 C30 C31 120.9(5) .
C32 C31 C30 119.7(6) .
C32 C31 C36 120.0(6) .
C36 C31 C30 120.3(6) .
C31 C32 H32 119.6 .
C33 C32 C31 120.9(7) .
C33 C32 H32 119.6 .
C32 C33 H33 120.0 .
C32 C33 C34 120.1(7) .
C34 C33 H33 120.0 .
C33 C34 H34 120.3 .
C35 C34 C33 119.4(7) .
C35 C34 H34 120.3 .
C34 C35 H35 118.9 .
C34 C35 C36 122.1(7) .
C36 C35 H35 118.9 .
C31 C36 C36 121.5(5) 2_655
C35 C36 C31 117.5(6) .
C35 C36 C36 120.9(6) 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 C3 1.884(6) .
Br2 C22 1.879(6) .
O1 C2 1.362(6) .
O2 C23 1.347(7) .
C1 C2 1.386(7) .
C1 C6 1.382(7) .
C1 C24 1.487(7) .
C2 C3 1.379(8) .
C3 C4 1.372(8) .
C4 H4 0.9300 .
C4 C5 1.363(8) .
C5 H5 0.9300 .
C5 C6 1.387(7) .
C6 C7 1.479(8) .
C7 C8 1.407(8) .
C7 C12 1.390(7) .
C8 H8 0.9300 .
C8 C9 1.374(8) .
C9 H9 0.9300 .
C9 C10 1.364(9) .
C10 H10 0.9300 .
C10 C11 1.364(8) .
C11 H11 0.9300 .
C11 C12 1.387(7) .
C12 C13 1.473(8) .
C13 C14 1.368(8) .
C13 C18 1.400(8) .
C14 H14 0.9300 .
C14 C15 1.377(9) .
C15 H15 0.9300 .
C15 C16 1.377(10) .
C16 H16 0.9300 .
C16 C17 1.351(9) .
C17 H17 0.9300 .
C17 C18 1.392(8) .
C18 C19 1.463(8) .
C19 C20 1.399(8) .
C19 C24 1.378(8) .
C20 H20 0.9300 .
C20 C21 1.376(9) .
C21 H21 0.9300 .
C21 C22 1.352(9) .
C22 C23 1.381(8) .
C23 C24 1.378(8) .
Br3 C27 1.900(5) .
O3 C26 1.355(6) .
C25 C25 1.510(10) 2_655
C25 C26 1.387(7) .
C25 C30 1.387(7) .
C26 C27 1.372(7) .
C27 C28 1.360(8) .
C28 H28 0.9300 .
C28 C29 1.378(8) .
C29 H29 0.9300 .
C29 C30 1.380(7) .
C30 C31 1.482(8) .
C31 C32 1.369(8) .
C31 C36 1.401(8) .
C32 H32 0.9300 .
C32 C33 1.356(8) .
C33 H33 0.9300 .
C33 C34 1.386(9) .
C34 H34 0.9300 .
C34 C35 1.347(9) .
C35 H35 0.9300 .
C35 C36 1.388(8) .
C36 C36 1.472(13) 2_655
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
Br1 C3 C4 C5 179.1(5) . .
Br2 C22 C23 O2 -1.7(8) . .
Br2 C22 C23 C24 177.7(4) . .
O1 C2 C3 Br1 -0.4(8) . .
O1 C2 C3 C4 -179.5(6) . .
O2 C23 C24 C1 -3.1(8) . .
O2 C23 C24 C19 178.3(5) . .
C1 C2 C3 Br1 -179.1(4) . .
C1 C2 C3 C4 1.8(9) . .
C1 C6 C7 C8 -115.5(6) . .
C1 C6 C7 C12 64.9(7) . .
C2 C1 C6 C5 0.4(8) . .
C2 C1 C6 C7 179.6(5) . .
C2 C1 C24 C19 109.4(6) . .
C2 C1 C24 C23 -69.2(7) . .
C2 C3 C4 C5 -1.8(9) . .
C3 C4 C5 C6 1.1(9) . .
C4 C5 C6 C1 -0.4(9) . .
C4 C5 C6 C7 -179.6(6) . .
C5 C6 C7 C8 63.7(7) . .
C5 C6 C7 C12 -115.9(6) . .
C6 C1 C2 O1 -179.8(5) . .
C6 C1 C2 C3 -1.1(9) . .
C6 C1 C24 C19 -73.6(7) . .
C6 C1 C24 C23 107.9(6) . .
C6 C7 C8 C9 179.2(5) . .
C6 C7 C12 C11 -179.7(5) . .
C6 C7 C12 C13 2.2(8) . .
C7 C8 C9 C10 0.1(10) . .
C7 C12 C13 C14 114.5(7) . .
C7 C12 C13 C18 -69.8(8) . .
C8 C7 C12 C11 0.7(8) . .
C8 C7 C12 C13 -177.4(5) . .
C8 C9 C10 C11 1.5(10) . .
C9 C10 C11 C12 -2.0(10) . .
C10 C11 C12 C7 0.9(9) . .
C10 C11 C12 C13 179.1(6) . .
C11 C12 C13 C14 -63.6(8) . .
C11 C12 C13 C18 112.0(6) . .
C12 C7 C8 C9 -1.2(9) . .
C12 C13 C14 C15 177.6(6) . .
C12 C13 C18 C17 -175.8(5) . .
C12 C13 C18 C19 0.5(9) . .
C13 C14 C15 C16 -1.2(11) . .
C13 C18 C19 C20 -114.7(6) . .
C13 C18 C19 C24 63.9(8) . .
C14 C13 C18 C17 -0.1(9) . .
C14 C13 C18 C19 176.2(5) . .
C14 C15 C16 C17 -1.4(11) . .
C15 C16 C17 C18 3.2(11) . .
C16 C17 C18 C13 -2.4(10) . .
C16 C17 C18 C19 -178.8(6) . .
C17 C18 C19 C20 61.6(8) . .
C17 C18 C19 C24 -119.8(6) . .
C18 C13 C14 C15 1.9(9) . .
C18 C19 C20 C21 176.2(6) . .
C18 C19 C24 C1 5.4(8) . .
C18 C19 C24 C23 -176.0(5) . .
C19 C20 C21 C22 0.9(9) . .
C20 C19 C24 C1 -175.9(5) . .
C20 C19 C24 C23 2.6(8) . .
C20 C21 C22 Br2 -177.6(4) . .
C20 C21 C22 C23 0.7(10) . .
C21 C22 C23 O2 -180.0(6) . .
C21 C22 C23 C24 -0.5(9) . .
C22 C23 C24 C1 177.4(5) . .
C22 C23 C24 C19 -1.2(8) . .
C24 C1 C2 O1 -2.7(8) . .
C24 C1 C2 C3 176.0(5) . .
C24 C1 C6 C5 -176.6(5) . .
C24 C1 C6 C7 2.6(8) . .
C24 C19 C20 C21 -2.5(9) . .
Br3 C27 C28 C29 179.4(5) . .
O3 C26 C27 Br3 1.8(8) . .
O3 C26 C27 C28 -179.5(5) . .
C25 C25 C26 O3 -2.7(9) 2_655 .
C25 C25 C26 C27 177.3(6) 2_655 .
C25 C25 C30 C29 -178.4(6) 2_655 .
C25 C25 C30 C31 2.2(9) 2_655 .
C25 C26 C27 Br3 -178.2(4) . .
C25 C26 C27 C28 0.5(9) . .
C25 C30 C31 C32 -114.2(7) . .
C25 C30 C31 C36 65.1(7) . .
C26 C25 C30 C29 -0.8(9) . .
C26 C25 C30 C31 179.8(6) . .
C26 C27 C28 C29 0.7(9) . .
C27 C28 C29 C30 -2.0(9) . .
C28 C29 C30 C25 2.0(9) . .
C28 C29 C30 C31 -178.6(6) . .
C29 C30 C31 C32 66.4(8) . .
C29 C30 C31 C36 -114.3(7) . .
C30 C25 C26 O3 179.6(5) . .
C30 C25 C26 C27 -0.4(8) . .
C30 C31 C32 C33 179.1(5) . .
C30 C31 C36 C35 -179.6(5) . .
C30 C31 C36 C36 2.3(9) . 2_655
C31 C32 C33 C34 0.4(9) . .
C32 C31 C36 C35 -0.3(8) . .
C32 C31 C36 C36 -178.4(6) . 2_655
C32 C33 C34 C35 0.1(10) . .
C33 C34 C35 C36 -0.7(10) . .
C34 C35 C36 C31 0.8(9) . .
C34 C35 C36 C36 178.9(7) . 2_655
C36 C31 C32 C33 -0.2(9) . .
