# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_K546
_database_code_depnum_ccdc_archive 'CCDC 2091854'
loop_
_audit_author_name
_audit_author_address
'Song Shaotang'
;National University of Singapore
Singapore
;
_audit_update_record             
;
2021-06-24 deposited with the CCDC.	2021-08-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H24 Br2'
_chemical_formula_weight         616.37

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   18.1145(13)
_cell_length_b                   6.8754(5)
_cell_length_c                   23.0990(17)
_cell_angle_alpha                90
_cell_angle_beta                 112.806(2)
_cell_angle_gamma                90
_cell_volume                     2651.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9861
_cell_measurement_theta_min      2.65
_cell_measurement_theta_max      29.44

_exptl_crystal_description       Rod
_exptl_crystal_colour            Colourless
_exptl_crystal_density_meas      'Not Measured'
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_F_000             1240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.488
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.087
_exptl_absorpt_coefficient_mu    3.081
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6053
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8  Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            86535
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_av_R_equivalents  0.0900
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.963
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6571
_reflns_number_gt                4976
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'APEX3 v2016.1-0 (Bruker AXS)'
_computing_data_collection       'APEX3 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL--2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXT--(Sheldrick 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0332P)²+4.1307P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     Dual-space
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6571
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.0929
_refine_ls_wR_factor_gt          0.0820
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Br1 Br 0.36105(2) -0.39908(4) 0.76660(2) 0.03091(9) Uani 1 1 d . . . . .
Br2 Br 0.72346(2) -0.44942(5) 0.81761(2) 0.03381(9) Uani 1 1 d . . . . .
C1 C -0.0188(2) 0.9241(5) 0.33396(15) 0.0343(7) Uani 1 1 d . . . . .
H1 H -0.043276 1.020165 0.302835 0.041 Uiso 1 1 calc R U . . .
C2 C -0.02347(19) 0.9370(5) 0.39243(15) 0.0311(7) Uani 1 1 d . . . . .
H2 H -0.052211 1.041048 0.401031 0.037 Uiso 1 1 calc R U . . .
C3 C 0.01337(18) 0.7995(4) 0.43819(14) 0.0276(6) Uani 1 1 d . . . . .
H3 H 0.009410 0.809983 0.477891 0.033 Uiso 1 1 calc R U . . .
C4 C 0.05647(17) 0.6451(4) 0.42697(13) 0.0243(6) Uani 1 1 d . . . . .
C5 C 0.05868(18) 0.6322(5) 0.36722(14) 0.0286(6) Uani 1 1 d . . . . .
H5 H 0.086028 0.526734 0.357801 0.034 Uiso 1 1 calc R U . . .
C6 C 0.0217(2) 0.7705(5) 0.32156(14) 0.0340(7) Uani 1 1 d . . . . .
H6 H 0.024307 0.759454 0.281391 0.041 Uiso 1 1 calc R U . . .
C7 C 0.10048(17) 0.5021(4) 0.47639(13) 0.0234(6) Uani 1 1 d . . . . .
C8 C 0.13270(17) 0.5539(4) 0.54017(13) 0.0237(6) Uani 1 1 d . . . . .
H8 H 0.125278 0.682326 0.552115 0.028 Uiso 1 1 calc R U . . .
C9 C 0.17507(17) 0.4208(4) 0.58582(13) 0.0235(6) Uani 1 1 d . . . . .
H9 H 0.195816 0.459206 0.628683 0.028 Uiso 1 1 calc R U . . .
C10 C 0.18808(17) 0.2301(4) 0.57015(13) 0.0224(6) Uani 1 1 d . . . . .
C11 C 0.15648(18) 0.1787(4) 0.50639(13) 0.0264(6) Uani 1 1 d . . . . .
H11 H 0.164742 0.051192 0.494244 0.032 Uiso 1 1 calc R U . . .
C12 C 0.11330(19) 0.3124(4) 0.46092(14) 0.0271(6) Uani 1 1 d . . . . .
H12 H 0.091865 0.273848 0.418083 0.032 Uiso 1 1 calc R U . . .
C13 C 0.23167(17) 0.0840(4) 0.61850(13) 0.0227(6) Uani 1 1 d . . . . .
C14 C 0.22204(17) 0.0785(4) 0.67572(13) 0.0220(6) Uani 1 1 d . . . . .
H14 H 0.190663 0.176065 0.684458 0.026 Uiso 1 1 calc R U . . .
C15 C 0.25729(17) -0.0664(4) 0.72042(13) 0.0217(6) Uani 1 1 d . . . . .
C16 C 0.30580(17) -0.2029(4) 0.70730(13) 0.0229(6) Uani 1 1 d . . . . .
C17 C 0.31752(17) -0.1977(4) 0.65133(13) 0.0243(6) Uani 1 1 d . . . . .
H17 H 0.351384 -0.290637 0.643551 0.029 Uiso 1 1 calc R U . . .
C18 C 0.27978(17) -0.0568(4) 0.60700(13) 0.0236(6) Uani 1 1 d . . . . .
H18 H 0.286686 -0.055830 0.568275 0.028 Uiso 1 1 calc R U . . .
C19 C 0.3009(2) 0.9706(5) 0.44366(14) 0.0299(7) Uani 1 1 d . . . . .
H19 H 0.271100 1.068938 0.415357 0.036 Uiso 1 1 calc R U . . .
C20 C 0.26671(19) 0.7916(5) 0.44411(14) 0.0292(7) Uani 1 1 d . . . . .
H20 H 0.212891 0.767885 0.416446 0.035 Uiso 1 1 calc R U . . .
C21 C 0.31017(18) 0.6456(4) 0.48464(13) 0.0261(6) Uani 1 1 d . . . . .
H21 H 0.285837 0.523084 0.484514 0.031 Uiso 1 1 calc R U . . .
C22 C 0.39000(17) 0.6781(4) 0.52585(13) 0.0226(6) Uani 1 1 d . . . . .
C23 C 0.42371(18) 0.8607(4) 0.52550(14) 0.0257(6) Uani 1 1 d . . . . .
H23 H 0.477391 0.885494 0.553262 0.031 Uiso 1 1 calc R U . . .
C24 C 0.37984(19) 1.0065(4) 0.48514(14) 0.0289(7) Uani 1 1 d . . . . .
H24 H 0.403360 1.130304 0.485692 0.035 Uiso 1 1 calc R U . . .
C25 C 0.43803(17) 0.5211(4) 0.56809(13) 0.0218(6) Uani 1 1 d . . . . .
C26 C 0.40465(18) 0.3937(4) 0.59846(13) 0.0238(6) Uani 1 1 d . . . . .
H26 H 0.349945 0.407659 0.592319 0.029 Uiso 1 1 calc R U . . .
C27 C 0.44973(17) 0.2478(4) 0.63724(13) 0.0239(6) Uani 1 1 d . . . . .
H27 H 0.426044 0.167233 0.658731 0.029 Uiso 1 1 calc R U . . .
C28 C 0.52945(17) 0.2162(4) 0.64556(12) 0.0210(6) Uani 1 1 d . . . . .
C29 C 0.56264(17) 0.3433(4) 0.61510(13) 0.0244(6) Uani 1 1 d . . . . .
H29 H 0.616585 0.325499 0.619570 0.029 Uiso 1 1 calc R U . . .
C30 C 0.51839(18) 0.4952(4) 0.57842(13) 0.0247(6) Uani 1 1 d . . . . .
H30 H 0.543408 0.583268 0.560001 0.030 Uiso 1 1 calc R U . . .
C31 C 0.57669(17) 0.0515(4) 0.68431(13) 0.0222(6) Uani 1 1 d . . . . .
C32 C 0.53886(18) -0.1042(4) 0.70132(14) 0.0269(6) Uani 1 1 d . . . . .
H32 H 0.482074 -0.106886 0.686458 0.032 Uiso 1 1 calc R U . . .
C33 C 0.58280(18) -0.2537(4) 0.73932(14) 0.0280(6) Uani 1 1 d . . . . .
H33 H 0.556367 -0.355727 0.751394 0.034 Uiso 1 1 calc R U . . .
C34 C 0.66529(18) -0.2537(4) 0.75956(13) 0.0263(6) Uani 1 1 d . . . . .
C35 C 0.70578(17) -0.1085(4) 0.74094(13) 0.0218(6) Uani 1 1 d . . . . .
C36 C 0.66045(17) 0.0433(4) 0.70439(12) 0.0219(6) Uani 1 1 d . . . . .
H36 H 0.687170 0.145265 0.692578 0.026 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Br1 C16 1.906(3) . ?
Br2 C34 1.903(3) . ?
C1 C6 1.378(5) . ?
C1 C2 1.388(4) . ?
C2 C3 1.382(4) . ?
C3 C4 1.400(4) . ?
C4 C5 1.399(4) . ?
C4 C7 1.483(4) . ?
C5 C6 1.385(4) . ?
C7 C12 1.395(4) . ?
C7 C8 1.404(4) . ?
C8 C9 1.382(4) . ?
C9 C10 1.405(4) . ?
C10 C11 1.403(4) . ?
C10 C13 1.482(4) . ?
C11 C12 1.387(4) . ?
C13 C18 1.395(4) . ?
C13 C14 1.399(4) . ?
C14 C15 1.399(4) . ?
C15 C16 1.397(4) . ?
C15 C15 1.489(5) 2_556 ?
C16 C17 1.389(4) . ?
C17 C18 1.383(4) . ?
C19 C20 1.380(4) . ?
C19 C24 1.400(5) . ?
C20 C21 1.390(4) . ?
C21 C22 1.407(4) . ?
C22 C23 1.397(4) . ?
C22 C25 1.489(4) . ?
C23 C24 1.390(4) . ?
C25 C30 1.392(4) . ?
C25 C26 1.398(4) . ?
C26 C27 1.381(4) . ?
C27 C28 1.398(4) . ?
C28 C29 1.396(4) . ?
C28 C31 1.491(4) . ?
C29 C30 1.387(4) . ?
C31 C36 1.405(4) . ?
C31 C32 1.407(4) . ?
C32 C33 1.385(4) . ?
C33 C34 1.382(4) . ?
C34 C35 1.402(4) . ?
C35 C36 1.393(4) . ?
C35 C35 1.491(6) 2_656 ?

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
C6 C1 C2 119.3(3) . . ?
C3 C2 C1 120.5(3) . . ?
C2 C3 C4 121.0(3) . . ?
C5 C4 C3 117.5(3) . . ?
C5 C4 C7 120.3(3) . . ?
C3 C4 C7 122.2(3) . . ?
C6 C5 C4 121.2(3) . . ?
C1 C6 C5 120.5(3) . . ?
C12 C7 C8 117.6(3) . . ?
C12 C7 C4 121.1(3) . . ?
C8 C7 C4 121.3(3) . . ?
C9 C8 C7 121.0(3) . . ?
C8 C9 C10 121.4(3) . . ?
C11 C10 C9 117.7(3) . . ?
C11 C10 C13 120.1(3) . . ?
C9 C10 C13 122.2(2) . . ?
C12 C11 C10 120.6(3) . . ?
C11 C12 C7 121.8(3) . . ?
C18 C13 C14 118.5(3) . . ?
C18 C13 C10 121.1(2) . . ?
C14 C13 C10 120.3(3) . . ?
C15 C14 C13 121.9(3) . . ?
C16 C15 C14 117.7(2) . . ?
C16 C15 C15 123.3(2) . 2_556 ?
C14 C15 C15 119.0(2) . 2_556 ?
C17 C16 C15 121.3(3) . . ?
C17 C16 Br1 117.4(2) . . ?
C15 C16 Br1 121.2(2) . . ?
C18 C17 C16 119.8(3) . . ?
C17 C18 C13 120.7(3) . . ?
C20 C19 C24 119.6(3) . . ?
C19 C20 C21 120.7(3) . . ?
C20 C21 C22 120.4(3) . . ?
C23 C22 C21 118.4(3) . . ?
C23 C22 C25 120.6(3) . . ?
C21 C22 C25 121.0(3) . . ?
C24 C23 C22 120.9(3) . . ?
C23 C24 C19 119.9(3) . . ?
C30 C25 C26 117.4(3) . . ?
C30 C25 C22 120.8(3) . . ?
C26 C25 C22 121.8(3) . . ?
C27 C26 C25 121.2(3) . . ?
C26 C27 C28 121.4(3) . . ?
C29 C28 C27 117.2(3) . . ?
C29 C28 C31 121.3(3) . . ?
C27 C28 C31 121.5(2) . . ?
C30 C29 C28 121.3(3) . . ?
C29 C30 C25 121.3(3) . . ?
C36 C31 C32 117.2(3) . . ?
C36 C31 C28 121.6(2) . . ?
C32 C31 C28 121.2(3) . . ?
C33 C32 C31 121.3(3) . . ?
C34 C33 C32 119.7(3) . . ?
C33 C34 C35 121.5(3) . . ?
C33 C34 Br2 118.0(2) . . ?
C35 C34 Br2 120.5(2) . . ?
C36 C35 C34 117.7(3) . . ?
C36 C35 C35 119.2(2) . 2_656 ?
C34 C35 C35 123.2(2) . 2_656 ?
C35 C36 C31 122.5(3) . . ?

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
C6 C1 C2 C3 1.2(5) . . . . ?
C1 C2 C3 C4 0.3(5) . . . . ?
C2 C3 C4 C5 -1.9(4) . . . . ?
C2 C3 C4 C7 176.4(3) . . . . ?
C3 C4 C5 C6 2.0(4) . . . . ?
C7 C4 C5 C6 -176.4(3) . . . . ?
C2 C1 C6 C5 -1.2(5) . . . . ?
C4 C5 C6 C1 -0.5(5) . . . . ?
C5 C4 C7 C12 -29.5(4) . . . . ?
C3 C4 C7 C12 152.2(3) . . . . ?
C5 C4 C7 C8 148.6(3) . . . . ?
C3 C4 C7 C8 -29.6(4) . . . . ?
C12 C7 C8 C9 -0.4(4) . . . . ?
C4 C7 C8 C9 -178.6(3) . . . . ?
C7 C8 C9 C10 0.6(4) . . . . ?
C8 C9 C10 C11 -0.1(4) . . . . ?
C8 C9 C10 C13 -178.5(3) . . . . ?
C9 C10 C11 C12 -0.7(4) . . . . ?
C13 C10 C11 C12 177.8(3) . . . . ?
C10 C11 C12 C7 0.8(5) . . . . ?
C8 C7 C12 C11 -0.3(4) . . . . ?
C4 C7 C12 C11 177.9(3) . . . . ?
C11 C10 C13 C18 35.5(4) . . . . ?
C9 C10 C13 C18 -146.1(3) . . . . ?
C11 C10 C13 C14 -141.2(3) . . . . ?
C9 C10 C13 C14 37.2(4) . . . . ?
C18 C13 C14 C15 -1.8(4) . . . . ?
C10 C13 C14 C15 175.0(3) . . . . ?
C13 C14 C15 C16 2.6(4) . . . . ?
C13 C14 C15 C15 -178.3(3) . . . 2_556 ?
C14 C15 C16 C17 -1.2(4) . . . . ?
C15 C15 C16 C17 179.8(3) 2_556 . . . ?
C14 C15 C16 Br1 176.9(2) . . . . ?
C15 C15 C16 Br1 -2.1(4) 2_556 . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
Br1 C16 C17 C18 -179.1(2) . . . . ?
C16 C17 C18 C13 1.8(4) . . . . ?
C14 C13 C18 C17 -0.4(4) . . . . ?
C10 C13 C18 C17 -177.2(3) . . . . ?
C24 C19 C20 C21 -1.0(4) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C21 C22 C23 0.9(4) . . . . ?
C20 C21 C22 C25 -178.1(3) . . . . ?
C21 C22 C23 C24 -0.5(4) . . . . ?
C25 C22 C23 C24 178.5(2) . . . . ?
C22 C23 C24 C19 -0.6(4) . . . . ?
C20 C19 C24 C23 1.4(4) . . . . ?
C23 C22 C25 C30 -38.9(4) . . . . ?
C21 C22 C25 C30 140.0(3) . . . . ?
C23 C22 C25 C26 141.5(3) . . . . ?
C21 C22 C25 C26 -39.6(4) . . . . ?
C30 C25 C26 C27 0.0(4) . . . . ?
C22 C25 C26 C27 179.6(3) . . . . ?
C25 C26 C27 C28 -2.8(4) . . . . ?
C26 C27 C28 C29 2.6(4) . . . . ?
C26 C27 C28 C31 -176.3(3) . . . . ?
C27 C28 C29 C30 0.4(4) . . . . ?
C31 C28 C29 C30 179.2(3) . . . . ?
C28 C29 C30 C25 -3.2(4) . . . . ?
C26 C25 C30 C29 2.9(4) . . . . ?
C22 C25 C30 C29 -176.7(3) . . . . ?
C29 C28 C31 C36 15.6(4) . . . . ?
C27 C28 C31 C36 -165.6(3) . . . . ?
C29 C28 C31 C32 -163.2(3) . . . . ?
C27 C28 C31 C32 15.6(4) . . . . ?
C36 C31 C32 C33 3.6(4) . . . . ?
C28 C31 C32 C33 -177.5(3) . . . . ?
C31 C32 C33 C34 -1.9(4) . . . . ?
C32 C33 C34 C35 -2.0(4) . . . . ?
C32 C33 C34 Br2 174.5(2) . . . . ?
C33 C34 C35 C36 4.0(4) . . . . ?
Br2 C34 C35 C36 -172.5(2) . . . . ?
C33 C34 C35 C35 -176.8(3) . . . 2_656 ?
Br2 C34 C35 C35 6.7(4) . . . 2_656 ?
C34 C35 C36 C31 -2.1(4) . . . . ?
C35 C35 C36 C31 178.6(3) 2_656 . . . ?
C32 C31 C36 C35 -1.5(4) . . . . ?
C28 C31 C36 C35 179.6(2) . . . . ?

_refine_diff_density_max         0.432
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.085



