# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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 
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data_cu_240112c_0m
_database_code_depnum_ccdc_archive 'CCDC 2382467'
loop_
_audit_author_name
_audit_author_address
'Xiaoxun Li'
;Shandong University
China
;
_audit_update_record             
;
2024-09-07 deposited with the CCDC.	2024-10-28 downloaded from the CCDC.
;
_audit_creation_date             2024-01-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        3k
_chemical_formula_moiety         'C26 H21 Br O2'
_chemical_formula_sum            'C26 H21 Br O2'
_chemical_formula_weight         445.34
_chemical_absolute_configuration syn
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   5.1768(16)
_cell_length_b                   10.008(3)
_cell_length_c                   40.889(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2118.4(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7005
_cell_measurement_temperature    293.0
_cell_measurement_theta_max      58.140
_cell_measurement_theta_min      4.325
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.897
_exptl_absorpt_coefficient_mu    2.787
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1720 before and 0.1011 after correction.
The Ratio of minimum to maximum transmission is 0.6700.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0931
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            22883
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        66.594
_diffrn_reflns_theta_max         66.594
_diffrn_reflns_theta_min         2.161
_diffrn_ambient_temperature      293.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.679
_reflns_Friedel_fraction_full    0.987
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                2235
_reflns_number_total             3688
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.162
_refine_ls_abs_structure_details 
;
 Flack x determined using 679 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.095(17)
_refine_ls_extinction_coef       0.015(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3688
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1395
_refine_ls_R_factor_gt           0.0968
_refine_ls_restrained_S_all      1.082
_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)+(0.1543P)²+4.3469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2688
_refine_ls_wR_factor_ref         0.3017
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C22-C20
 1.42 with sigma of 0.002
 C14-O2
 1.46 with sigma of 0.002
 C4-C22
 1.42 with sigma of 0.002
 C20-C2
 1.42 with sigma of 0.002
 C22-C18
 1.46 with sigma of 0.002
 C2-C7
 1.42 with sigma of 0.002
 C14-C15
 1.46 with sigma of 0.002
 C7-C5
 1.42 with sigma of 0.002
 O2-C4
 1.46 with sigma of 0.002
 C5-C26
 1.42 with sigma of 0.002
 C15-C13
 1.46 with sigma of 0.002
 C26-C4
 1.42 with sigma of 0.002
3.a Ternary CH refined with riding coordinates:
 C14(H14), C22(H22)
3.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C7(H7), C11(H11), C25(H25), C9(H9), C3(H3), C19(H19), C1(H1),
 C17(H17), C8(H8), C24(H24), C20(H20), C26(H26)
3.d Fitted pentagon refined as free rotating group:
 C10(C18,C13,C21,O1)
3.e Fitted hexagon refined as free rotating group:
 C11(C25,C9,C3,C12,C19), C16(C1,C17,C6,C8,C24)
3.f Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 -0.0552(4) -0.0512(2) 0.25161(5) 0.0946(9) Uani 1 1 d . . . . .
O2 O 0.534(2) 0.2858(9) 0.3753(2) 0.077(3) Uani 1 1 d D . . . .
C2 C 0.632(3) 0.4238(15) 0.4701(3) 0.084(5) Uani 1 1 d D . . . .
H2 H 0.528520 0.437341 0.488362 0.101 Uiso 1 1 calc R U . . .
C4 C 0.702(2) 0.3430(9) 0.4003(3) 0.070(4) Uani 1 1 d D . . . .
C5 C 0.950(3) 0.2593(16) 0.4485(3) 0.086(5) Uani 1 1 d D . . . .
H5 H 1.099458 0.210651 0.452877 0.103 Uiso 1 1 calc R U . . .
C7 C 0.860(3) 0.3457(14) 0.4735(3) 0.079(4) Uani 1 1 d D . . . .
H7 H 0.953294 0.351494 0.492836 0.095 Uiso 1 1 calc R U . . .
C10 C 0.7924(19) 0.7134(8) 0.3889(2) 0.074(4) Uani 1 1 d G . . . .
C18 C 0.668(2) 0.5870(7) 0.3875(2) 0.063(3) Uani 1 1 d DG . . . .
C13 C 0.5016(19) 0.5867(7) 0.3599(2) 0.071(4) Uani 1 1 d DG . . . .
C21 C 0.523(2) 0.7128(8) 0.3442(2) 0.081(5) Uani 1 1 d G . . . .
O1 O 0.7030(18) 0.7911(6) 0.3621(2) 0.074(3) Uani 1 1 d G . . . .
C11 C 1.308(2) 0.9473(10) 0.4177(3) 0.102(6) Uani 1 1 d G . . . .
H11 H 1.407875 1.016342 0.409212 0.122 Uiso 1 1 calc R U . . .
C25 C 1.340(2) 0.9071(11) 0.4499(3) 0.103(7) Uani 1 1 d G . . . .
H25 H 1.462084 0.949315 0.463092 0.123 Uiso 1 1 calc R U . . .
C9 C 1.191(2) 0.8039(13) 0.4625(2) 0.090(5) Uani 1 1 d G . . . .
H9 H 1.212686 0.776987 0.484147 0.108 Uiso 1 1 calc R U . . .
C3 C 1.009(2) 0.7408(11) 0.4429(2) 0.088(5) Uani 1 1 d G . . . .
H3 H 0.909079 0.671685 0.451321 0.105 Uiso 1 1 calc R U . . .
C12 C 0.9766(18) 0.7809(9) 0.4106(2) 0.071(4) Uani 1 1 d G . . . .
C19 C 1.126(2) 0.8842(10) 0.3980(2) 0.087(5) Uani 1 1 d G . . . .
H19 H 1.104263 0.911038 0.376387 0.105 Uiso 1 1 calc R U . . .
C14 C 0.499(3) 0.3521(11) 0.3438(2) 0.067(4) Uani 1 1 d D . . . .
H14 H 0.670025 0.374010 0.334951 0.080 Uiso 1 1 calc R U . . .
C15 C 0.351(2) 0.4757(8) 0.3467(4) 0.078(4) Uani 1 1 d D . . . .
H15A H 0.285861 0.500412 0.325269 0.094 Uiso 1 1 calc R U . . .
H15B H 0.203318 0.460000 0.360790 0.094 Uiso 1 1 calc R U . . .
C16 C 0.3715(17) 0.2476(9) 0.32095(19) 0.068(4) Uani 1 1 d G . . . .
C1 C 0.4568(16) 0.2307(10) 0.2890(2) 0.072(4) Uani 1 1 d G . . . .
H1 H 0.599059 0.278414 0.281459 0.086 Uiso 1 1 calc R U . . .
C17 C 0.329(2) 0.1425(11) 0.26826(16) 0.080(4) Uani 1 1 d G . . . .
H17 H 0.386388 0.131223 0.246869 0.096 Uiso 1 1 calc R U . . .
C6 C 0.1167(19) 0.0713(9) 0.2795(2) 0.073(4) Uani 1 1 d G . . . .
C8 C 0.0315(16) 0.0882(9) 0.3115(2) 0.071(4) Uani 1 1 d G . . . .
H8 H -0.110802 0.040492 0.318996 0.085 Uiso 1 1 calc R U . . .
C24 C 0.1589(18) 0.1764(10) 0.33220(17) 0.072(4) Uani 1 1 d G . . . .
H24 H 0.101865 0.187683 0.353586 0.086 Uiso 1 1 calc R U . . .
C20 C 0.558(3) 0.4820(14) 0.4399(2) 0.076(4) Uani 1 1 d D . . . .
H20 H 0.399564 0.525486 0.439007 0.092 Uiso 1 1 calc R U . . .
C22 C 0.709(3) 0.4784(7) 0.4108(2) 0.061(3) Uani 1 1 d D . . . .
H22 H 0.886488 0.491466 0.418466 0.074 Uiso 1 1 calc R U . . .
C23 C 0.409(5) 0.7821(17) 0.3150(4) 0.106(6) Uani 1 1 d . . . . .
H23A H 0.428098 0.876956 0.317441 0.159 Uiso 1 1 calc R U . . .
H23B H 0.229095 0.760104 0.313296 0.159 Uiso 1 1 calc R U . . .
H23C H 0.497203 0.753436 0.295546 0.159 Uiso 1 1 calc R U . . .
C26 C 0.835(3) 0.2401(13) 0.4173(3) 0.078(4) Uani 1 1 d D . . . .
H26 H 0.846315 0.156269 0.407621 0.094 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 C6 1.896(6) . ?
O2 C4 1.460(3) . ?
O2 C14 1.460(3) . ?
C2 H2 0.9300 . ?
C2 C7 1.419(3) . ?
C2 C20 1.420(3) . ?
C4 C22 1.422(3) . ?
C4 C26 1.419(3) . ?
C5 H5 0.9300 . ?
C5 C7 1.419(3) . ?
C5 C26 1.420(3) . ?
C7 H7 0.9300 . ?
C10 C18 1.4200 . ?
C10 O1 1.4200 . ?
C10 C12 1.469(10) . ?
C18 C13 1.4200 . ?
C18 C22 1.462(3) . ?
C13 C21 1.4200 . ?
C13 C15 1.460(3) . ?
C21 O1 1.4200 . ?
C21 C23 1.502(17) . ?
C11 H11 0.9300 . ?
C11 C25 1.3900 . ?
C11 C19 1.3900 . ?
C25 H25 0.9300 . ?
C25 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C12 1.3900 . ?
C12 C19 1.3900 . ?
C19 H19 0.9300 . ?
C14 H14 0.9800 . ?
C14 C15 1.461(3) . ?
C14 C16 1.549(14) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C1 1.3900 . ?
C16 C24 1.3900 . ?
C1 H1 0.9300 . ?
C1 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C6 1.3900 . ?
C6 C8 1.3900 . ?
C8 H8 0.9300 . ?
C8 C24 1.3900 . ?
C24 H24 0.9300 . ?
C20 H20 0.9300 . ?
C20 C22 1.421(3) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C26 H26 0.9300 . ?

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
C4 O2 C14 121.0(9) . . ?
C7 C2 H2 118.8 . . ?
C7 C2 C20 122.3(13) . . ?
C20 C2 H2 118.8 . . ?
C22 C4 O2 126.8(10) . . ?
C26 C4 O2 110.3(8) . . ?
C26 C4 C22 122.2(9) . . ?
C7 C5 H5 117.0 . . ?
C7 C5 C26 126.1(15) . . ?
C26 C5 H5 117.0 . . ?
C2 C7 H7 118.7 . . ?
C5 C7 C2 122.7(15) . . ?
C5 C7 H7 118.7 . . ?
C18 C10 C12 136.8(7) . . ?
O1 C10 C18 108.0 . . ?
O1 C10 C12 115.2(7) . . ?
C10 C18 C22 124.8(8) . . ?
C13 C18 C10 108.0 . . ?
C13 C18 C22 127.2(8) . . ?
C18 C13 C21 108.0 . . ?
C18 C13 C15 128.3(8) . . ?
C21 C13 C15 123.5(8) . . ?
C13 C21 C23 137.6(11) . . ?
O1 C21 C13 108.0 . . ?
O1 C21 C23 114.4(11) . . ?
C10 O1 C21 108.0 . . ?
C25 C11 H11 120.0 . . ?
C25 C11 C19 120.0 . . ?
C19 C11 H11 120.0 . . ?
C11 C25 H25 120.0 . . ?
C11 C25 C9 120.0 . . ?
C9 C25 H25 120.0 . . ?
C25 C9 H9 120.0 . . ?
C3 C9 C25 120.0 . . ?
C3 C9 H9 120.0 . . ?
C9 C3 H3 120.0 . . ?
C12 C3 C9 120.0 . . ?
C12 C3 H3 120.0 . . ?
C3 C12 C10 121.4(7) . . ?
C3 C12 C19 120.0 . . ?
C19 C12 C10 118.6(7) . . ?
C11 C19 H19 120.0 . . ?
C12 C19 C11 120.0 . . ?
C12 C19 H19 120.0 . . ?
O2 C14 H14 108.3 . . ?
O2 C14 C15 112.2(10) . . ?
O2 C14 C16 106.2(8) . . ?
C15 C14 H14 108.3 . . ?
C15 C14 C16 113.3(9) . . ?
C16 C14 H14 108.3 . . ?
C13 C15 C14 113.1(10) . . ?
C13 C15 H15A 109.0 . . ?
C13 C15 H15B 109.0 . . ?
C14 C15 H15A 109.0 . . ?
C14 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
C1 C16 C14 120.9(7) . . ?
C1 C16 C24 120.0 . . ?
C24 C16 C14 119.0(7) . . ?
C16 C1 H1 120.0 . . ?
C16 C1 C17 120.0 . . ?
C17 C1 H1 120.0 . . ?
C1 C17 H17 120.0 . . ?
C6 C17 C1 120.0 . . ?
C6 C17 H17 120.0 . . ?
C17 C6 Br1 120.3(5) . . ?
C17 C6 C8 120.0 . . ?
C8 C6 Br1 119.7(5) . . ?
C6 C8 H8 120.0 . . ?
C24 C8 C6 120.0 . . ?
C24 C8 H8 120.0 . . ?
C16 C24 H24 120.0 . . ?
C8 C24 C16 120.0 . . ?
C8 C24 H24 120.0 . . ?
C2 C20 H20 117.7 . . ?
C2 C20 C22 124.7(11) . . ?
C22 C20 H20 117.7 . . ?
C4 C22 C18 120.5(9) . . ?
C4 C22 H22 104.2 . . ?
C18 C22 H22 104.2 . . ?
C20 C22 C4 105.3(11) . . ?
C20 C22 C18 116.6(9) . . ?
C20 C22 H22 104.2 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C4 C26 C5 123.0(13) . . ?
C4 C26 H26 118.5 . . ?
C5 C26 H26 118.5 . . ?

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
Br1 C6 C8 C24 179.1(7) . . . . ?
O2 C4 C22 C18 -36(2) . . . . ?
O2 C4 C22 C20 98.3(14) . . . . ?
O2 C4 C26 C5 -161.0(15) . . . . ?
O2 C14 C15 C13 76.7(15) . . . . ?
O2 C14 C16 C1 -135.9(9) . . . . ?
O2 C14 C16 C24 48.1(11) . . . . ?
C2 C20 C22 C4 70.0(18) . . . . ?
C2 C20 C22 C18 -153.5(14) . . . . ?
C4 O2 C14 C15 -70.1(14) . . . . ?
C4 O2 C14 C16 165.6(10) . . . . ?
C7 C2 C20 C22 -5(3) . . . . ?
C7 C5 C26 C4 33(3) . . . . ?
C10 C18 C13 C21 0.0 . . . . ?
C10 C18 C13 C15 174.1(13) . . . . ?
C10 C18 C22 C4 -145.3(11) . . . . ?
C10 C18 C22 C20 85.2(14) . . . . ?
C10 C12 C19 C11 -177.9(9) . . . . ?
C18 C10 O1 C21 0.0 . . . . ?
C18 C10 C12 C3 -21.6(14) . . . . ?
C18 C10 C12 C19 156.3(9) . . . . ?
C18 C13 C21 O1 0.0 . . . . ?
C18 C13 C21 C23 -179.5(18) . . . . ?
C18 C13 C15 C14 -46.7(18) . . . . ?
C13 C18 C22 C4 34.7(18) . . . . ?
C13 C18 C22 C20 -94.9(13) . . . . ?
C13 C21 O1 C10 0.0 . . . . ?
C21 C13 C15 C14 126.6(10) . . . . ?
O1 C10 C18 C13 0.0 . . . . ?
O1 C10 C18 C22 179.9(12) . . . . ?
O1 C10 C12 C3 156.4(7) . . . . ?
O1 C10 C12 C19 -25.7(11) . . . . ?
C11 C25 C9 C3 0.0 . . . . ?
C25 C11 C19 C12 0.0 . . . . ?
C25 C9 C3 C12 0.0 . . . . ?
C9 C3 C12 C10 177.9(9) . . . . ?
C9 C3 C12 C19 0.0 . . . . ?
C3 C12 C19 C11 0.0 . . . . ?
C12 C10 C18 C13 178.1(14) . . . . ?
C12 C10 C18 C22 -2.0(14) . . . . ?
C12 C10 O1 C21 -178.6(10) . . . . ?
C19 C11 C25 C9 0.0 . . . . ?
C14 O2 C4 C22 46.6(19) . . . . ?
C14 O2 C4 C26 -143.1(13) . . . . ?
C14 C16 C1 C17 -176.0(9) . . . . ?
C14 C16 C24 C8 176.0(9) . . . . ?
C15 C13 C21 O1 -174.5(12) . . . . ?
C15 C13 C21 C23 6.0(18) . . . . ?
C15 C14 C16 C1 100.5(11) . . . . ?
C15 C14 C16 C24 -75.6(11) . . . . ?
C16 C14 C15 C13 -163.0(10) . . . . ?
C16 C1 C17 C6 0.0 . . . . ?
C1 C16 C24 C8 0.0 . . . . ?
C1 C17 C6 Br1 -179.1(7) . . . . ?
C1 C17 C6 C8 0.0 . . . . ?
C17 C6 C8 C24 0.0 . . . . ?
C6 C8 C24 C16 0.0 . . . . ?
C24 C16 C1 C17 0.0 . . . . ?
C20 C2 C7 C5 -36(2) . . . . ?
C22 C4 C26 C5 10(3) . . . . ?
C22 C18 C13 C21 -179.9(12) . . . . ?
C22 C18 C13 C15 -5.8(17) . . . . ?
C23 C21 O1 C10 179.6(13) . . . . ?
C26 C4 C22 C18 154.6(14) . . . . ?
C26 C4 C22 C20 -71.0(17) . . . . ?
C26 C5 C7 C2 1(3) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethylacetate'
