# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_220701b_0m
_database_code_depnum_ccdc_archive 'CCDC 2183456'
loop_
_audit_author_name
_audit_author_address
'Hua Xiao'
;Hefei University of Technology
China
;
_audit_update_record             
;
2022-07-02 deposited with the CCDC.	2022-08-09 downloaded from the CCDC.
;
_audit_creation_date             2022-07-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H19 Br O4'
_chemical_formula_sum            'C22 H19 Br O4'
_chemical_formula_weight         427.28
_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 0.0033 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'

_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           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   11.7751(17)
_cell_length_b                   15.553(2)
_cell_length_c                   20.306(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3718.9(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8674
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      26.809
_cell_measurement_theta_min      2.389
_shelx_estimated_absorpt_T_max   0.663
_shelx_estimated_absorpt_T_min   0.639
_exptl_absorpt_coefficient_mu    2.236
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1160 before and 0.0444 after correction.
The Ratio of minimum to maximum transmission is 0.6021.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29713
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.703
_diffrn_reflns_theta_min         2.006
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_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_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3090
_reflns_number_total             4351
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.0009(3)
_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   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4351
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0480P)²+2.4213P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1005
_refine_ls_wR_factor_ref         0.1123
_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.a Ternary CH refined with riding coordinates:
 C14(H14), C13(H13), C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C6(H6A,H6B)
2.c Aromatic/amide H refined with riding coordinates:
 C19(H19), C18(H18), C4(H4), C11(H11), C21(H21), C22(H22), C10(H10), C8(H8),
 C9(H9)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.20357(3) 0.17994(2) 0.48956(2) 0.06517(15) Uani 1 1 d . . . . .
O1 O 0.56995(17) 0.42742(12) 0.95263(9) 0.0557(5) Uani 1 1 d . . . . .
O3 O 0.29724(18) 0.64857(12) 0.79725(11) 0.0613(6) Uani 1 1 d . . . . .
O4 O 0.51678(17) 0.31980(13) 0.74954(11) 0.0624(6) Uani 1 1 d . . . . .
O2 O 0.67177(19) 0.51833(16) 0.89101(13) 0.0778(7) Uani 1 1 d . . . . .
C17 C 0.36162(19) 0.29770(13) 0.67960(12) 0.0347(5) Uani 1 1 d . . . . .
C19 C 0.1991(2) 0.26149(15) 0.61350(12) 0.0382(5) Uani 1 1 d . . . . .
H19 H 0.120765 0.260310 0.607711 0.046 Uiso 1 1 calc R U . . .
C12 C 0.21820(19) 0.50630(15) 0.81822(11) 0.0360(5) Uani 1 1 d . . . . .
C14 C 0.3439(2) 0.37650(14) 0.79358(11) 0.0348(5) Uani 1 1 d . . . . .
H14 H 0.279278 0.339451 0.804454 0.042 Uiso 1 1 calc R U . . .
C18 C 0.2453(2) 0.29631(14) 0.67012(12) 0.0356(5) Uani 1 1 d . . . . .
H18 H 0.197668 0.319073 0.702206 0.043 Uiso 1 1 calc R U . . .
C13 C 0.29687(19) 0.46362(13) 0.76826(11) 0.0337(5) Uani 1 1 d . . . . .
H13 H 0.253483 0.452841 0.727912 0.040 Uiso 1 1 calc R U . . .
C3 C 0.4948(2) 0.46498(15) 0.85006(12) 0.0390(5) Uani 1 1 d . . . . .
C15 C 0.4130(2) 0.39086(15) 0.85640(12) 0.0396(5) Uani 1 1 d . . . . .
H15A H 0.361458 0.402006 0.892693 0.048 Uiso 1 1 calc R U . . .
H15B H 0.455080 0.338940 0.866562 0.048 Uiso 1 1 calc R U . . .
C20 C 0.2693(2) 0.22878(16) 0.56606(12) 0.0411(6) Uani 1 1 d . . . . .
C16 C 0.4153(2) 0.33088(14) 0.74106(13) 0.0393(5) Uani 1 1 d . . . . .
C4 C 0.4859(2) 0.52364(16) 0.80314(13) 0.0430(6) Uani 1 1 d . . . . .
H4 H 0.539263 0.567680 0.802359 0.052 Uiso 1 1 calc R U . . .
C2 C 0.5889(2) 0.47440(17) 0.89850(14) 0.0486(6) Uani 1 1 d . . . . .
C5 C 0.3958(2) 0.52386(14) 0.75138(12) 0.0412(6) Uani 1 1 d . . . . .
H5 H 0.430149 0.503521 0.710269 0.049 Uiso 1 1 calc R U . . .
C7 C 0.2227(2) 0.59516(17) 0.82874(13) 0.0468(6) Uani 1 1 d . . . . .
C11 C 0.1386(2) 0.46024(18) 0.85415(13) 0.0467(6) Uani 1 1 d . . . . .
H11 H 0.133178 0.401206 0.847566 0.056 Uiso 1 1 calc R U . . .
C21 C 0.3858(2) 0.22867(18) 0.57392(14) 0.0541(7) Uani 1 1 d . . . . .
H21 H 0.432839 0.206027 0.541492 0.065 Uiso 1 1 calc R U . . .
C22 C 0.4307(2) 0.26275(17) 0.63074(14) 0.0508(7) Uani 1 1 d . . . . .
H22 H 0.509032 0.262459 0.636682 0.061 Uiso 1 1 calc R U . . .
C6 C 0.3488(3) 0.61352(16) 0.73910(15) 0.0554(7) Uani 1 1 d . . . . .
H6A H 0.409855 0.651038 0.724831 0.066 Uiso 1 1 calc R U . . .
H6B H 0.292870 0.611027 0.704088 0.066 Uiso 1 1 calc R U . . .
C10 C 0.0670(3) 0.4986(2) 0.89936(14) 0.0611(8) Uani 1 1 d . . . . .
H10 H 0.014557 0.465995 0.922799 0.073 Uiso 1 1 calc R U . . .
C8 C 0.1511(3) 0.6342(2) 0.87445(16) 0.0647(9) Uani 1 1 d . . . . .
H8 H 0.155502 0.693240 0.881347 0.078 Uiso 1 1 calc R U . . .
C9 C 0.0746(3) 0.5865(3) 0.90913(15) 0.0702(10) Uani 1 1 d . . . . .
H9 H 0.027215 0.613156 0.939557 0.084 Uiso 1 1 calc R U . . .
C1 C 0.6586(3) 0.4336(2) 1.00264(17) 0.0765(10) Uani 1 1 d . . . . .
H1A H 0.729115 0.413354 0.984706 0.115 Uiso 1 1 calc R U . . .
H1B H 0.638104 0.399000 1.039969 0.115 Uiso 1 1 calc R U . . .
H1C H 0.666778 0.492389 1.016154 0.115 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 C20 1.895(2) . ?
O1 C2 1.339(3) . ?
O1 C1 1.459(3) . ?
O3 C7 1.367(3) . ?
O3 C6 1.435(4) . ?
O4 C16 1.219(3) . ?
O2 C2 1.201(3) . ?
C17 C18 1.383(3) . ?
C17 C16 1.491(3) . ?
C17 C22 1.394(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.383(3) . ?
C19 C20 1.368(3) . ?
C12 C13 1.526(3) . ?
C12 C7 1.399(4) . ?
C12 C11 1.387(4) . ?
C14 H14 0.9800 . ?
C14 C13 1.552(3) . ?
C14 C15 1.529(3) . ?
C14 C16 1.532(3) . ?
C18 H18 0.9300 . ?
C13 H13 0.9800 . ?
C13 C5 1.534(3) . ?
C3 C15 1.508(3) . ?
C3 C4 1.323(4) . ?
C3 C2 1.489(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C20 C21 1.380(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.493(4) . ?
C5 H5 0.9800 . ?
C5 C6 1.521(3) . ?
C7 C8 1.394(4) . ?
C11 H11 0.9300 . ?
C11 C10 1.382(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.376(4) . ?
C22 H22 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C10 H10 0.9300 . ?
C10 C9 1.384(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.363(5) . ?
C9 H9 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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 114.6(3) . . ?
C7 O3 C6 115.2(2) . . ?
C18 C17 C16 122.8(2) . . ?
C18 C17 C22 118.2(2) . . ?
C22 C17 C16 118.9(2) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C20 C19 C18 119.6(2) . . ?
C7 C12 C13 120.5(2) . . ?
C11 C12 C13 122.4(2) . . ?
C11 C12 C7 117.1(2) . . ?
C13 C14 H14 108.1 . . ?
C15 C14 H14 108.1 . . ?
C15 C14 C13 109.80(18) . . ?
C15 C14 C16 110.90(19) . . ?
C16 C14 H14 108.1 . . ?
C16 C14 C13 111.70(19) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.8(2) . . ?
C19 C18 H18 119.6 . . ?
C12 C13 C14 112.11(18) . . ?
C12 C13 H13 108.3 . . ?
C12 C13 C5 110.12(18) . . ?
C14 C13 H13 108.3 . . ?
C5 C13 C14 109.64(19) . . ?
C5 C13 H13 108.3 . . ?
C4 C3 C15 122.5(2) . . ?
C4 C3 C2 117.8(2) . . ?
C2 C3 C15 119.6(2) . . ?
C14 C15 H15A 109.1 . . ?
C14 C15 H15B 109.1 . . ?
C3 C15 C14 112.34(19) . . ?
C3 C15 H15A 109.1 . . ?
C3 C15 H15B 109.1 . . ?
H15A C15 H15B 107.9 . . ?
C19 C20 Br1 118.65(19) . . ?
C19 C20 C21 121.3(2) . . ?
C21 C20 Br1 120.02(19) . . ?
O4 C16 C17 119.0(2) . . ?
O4 C16 C14 120.3(2) . . ?
C17 C16 C14 120.7(2) . . ?
C3 C4 H4 117.8 . . ?
C3 C4 C5 124.4(2) . . ?
C5 C4 H4 117.8 . . ?
O1 C2 C3 111.4(2) . . ?
O2 C2 O1 123.4(3) . . ?
O2 C2 C3 125.2(3) . . ?
C13 C5 H5 107.8 . . ?
C4 C5 C13 112.38(19) . . ?
C4 C5 H5 107.8 . . ?
C4 C5 C6 112.1(2) . . ?
C6 C5 C13 108.7(2) . . ?
C6 C5 H5 107.8 . . ?
O3 C7 C12 123.6(2) . . ?
O3 C7 C8 115.8(3) . . ?
C8 C7 C12 120.6(3) . . ?
C12 C11 H11 118.7 . . ?
C10 C11 C12 122.6(3) . . ?
C10 C11 H11 118.7 . . ?
C20 C21 H21 120.7 . . ?
C22 C21 C20 118.6(2) . . ?
C22 C21 H21 120.7 . . ?
C17 C22 H22 119.2 . . ?
C21 C22 C17 121.5(2) . . ?
C21 C22 H22 119.2 . . ?
O3 C6 C5 111.5(2) . . ?
O3 C6 H6A 109.3 . . ?
O3 C6 H6B 109.3 . . ?
C5 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C11 C10 H10 120.6 . . ?
C11 C10 C9 118.8(3) . . ?
C9 C10 H10 120.6 . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.4(3) . . ?
C9 C8 H8 119.8 . . ?
C10 C9 H9 119.8 . . ?
C8 C9 C10 120.4(3) . . ?
C8 C9 H9 119.8 . . ?
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 . . ?

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 C20 C21 C22 -178.4(2) . . . . ?
O3 C7 C8 C9 -179.2(3) . . . . ?
C19 C20 C21 C22 -0.3(4) . . . . ?
C12 C13 C5 C4 78.9(2) . . . . ?
C12 C13 C5 C6 -45.7(3) . . . . ?
C12 C7 C8 C9 -0.7(4) . . . . ?
C12 C11 C10 C9 0.2(4) . . . . ?
C14 C13 C5 C4 -44.9(3) . . . . ?
C14 C13 C5 C6 -169.5(2) . . . . ?
C18 C17 C16 O4 170.5(2) . . . . ?
C18 C17 C16 C14 -8.2(3) . . . . ?
C18 C17 C22 C21 0.9(4) . . . . ?
C18 C19 C20 Br1 179.09(18) . . . . ?
C18 C19 C20 C21 0.9(4) . . . . ?
C13 C12 C7 O3 -1.5(4) . . . . ?
C13 C12 C7 C8 -179.9(2) . . . . ?
C13 C12 C11 C10 -179.9(2) . . . . ?
C13 C14 C15 C3 -46.7(3) . . . . ?
C13 C14 C16 O4 114.6(3) . . . . ?
C13 C14 C16 C17 -66.8(3) . . . . ?
C13 C5 C6 O3 63.7(3) . . . . ?
C3 C4 C5 C13 15.1(3) . . . . ?
C3 C4 C5 C6 137.8(3) . . . . ?
C15 C14 C13 C12 -61.0(3) . . . . ?
C15 C14 C13 C5 61.7(2) . . . . ?
C15 C14 C16 O4 -8.3(3) . . . . ?
C15 C14 C16 C17 170.4(2) . . . . ?
C15 C3 C4 C5 -0.2(4) . . . . ?
C15 C3 C2 O1 -17.0(3) . . . . ?
C15 C3 C2 O2 163.2(3) . . . . ?
C20 C19 C18 C17 -0.6(4) . . . . ?
C20 C21 C22 C17 -0.6(4) . . . . ?
C16 C17 C18 C19 -177.1(2) . . . . ?
C16 C17 C22 C21 177.9(2) . . . . ?
C16 C14 C13 C12 175.58(18) . . . . ?
C16 C14 C13 C5 -61.8(2) . . . . ?
C16 C14 C15 C3 77.2(2) . . . . ?
C4 C3 C15 C14 16.8(3) . . . . ?
C4 C3 C2 O1 162.2(2) . . . . ?
C4 C3 C2 O2 -17.6(4) . . . . ?
C4 C5 C6 O3 -61.1(3) . . . . ?
C2 C3 C15 C14 -164.1(2) . . . . ?
C2 C3 C4 C5 -179.4(2) . . . . ?
C7 O3 C6 C5 -48.6(3) . . . . ?
C7 C12 C13 C14 139.5(2) . . . . ?
C7 C12 C13 C5 17.2(3) . . . . ?
C7 C12 C11 C10 -0.9(4) . . . . ?
C7 C8 C9 C10 -0.1(5) . . . . ?
C11 C12 C13 C14 -41.6(3) . . . . ?
C11 C12 C13 C5 -163.9(2) . . . . ?
C11 C12 C7 O3 179.5(2) . . . . ?
C11 C12 C7 C8 1.2(4) . . . . ?
C11 C10 C9 C8 0.3(5) . . . . ?
C22 C17 C18 C19 -0.3(4) . . . . ?
C22 C17 C16 O4 -6.4(4) . . . . ?
C22 C17 C16 C14 174.9(2) . . . . ?
C6 O3 C7 C12 17.3(4) . . . . ?
C6 O3 C7 C8 -164.3(3) . . . . ?
C1 O1 C2 O2 0.0(4) . . . . ?
C1 O1 C2 C3 -179.8(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
