# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Y
_database_code_depnum_ccdc_archive 'CCDC 2141499'
loop_
_audit_author_name
_audit_author_address
zhuocaiqi 'Qingdao University of Science and Technology'
_audit_update_record             
;
2022-01-12 deposited with the CCDC.	2022-06-20 downloaded from the CCDC.
;
_audit_creation_date             2021-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H22 Br O4'
_chemical_formula_sum            'C25 H22 Br N0 O4'
_chemical_formula_weight         466.33
_chemical_absolute_configuration ?
_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'
N N 0.0061 0.0033 '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'
Br Br -0.2901 2.4595 '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+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   5.772(3)
_cell_length_b                   17.482(10)
_cell_length_c                   21.743(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2194(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    465
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      16.03
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.726
_exptl_absorpt_coefficient_mu    1.902
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1828
_diffrn_reflns_av_unetI/netI     0.2797
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9178
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        25.118
_diffrn_reflns_theta_max         25.118
_diffrn_reflns_theta_min         2.206
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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_standards_number         0
_reflns_Friedel_coverage         0.686
_reflns_Friedel_fraction_full    0.949
_reflns_Friedel_fraction_max     0.949
_reflns_number_gt                1493
_reflns_number_total             3787
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 
;
 Flack x determined using 332 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.47(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3787
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.2435
_refine_ls_R_factor_gt           0.0919
_refine_ls_restrained_S_all      0.985
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1836
_refine_ls_wR_factor_ref         0.2669
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H2(0.077) H4(0.079) H2D(0.063) H3(0.061) H6(0.051) H7(0.05)
 H9(0.053) H10(0.065) H11(0.076) H12(0.083) H13(0.061) H14A(0.073) H14B(0.073)
 H16A(0.102) H16B(0.102) H19(0.069) H20(0.068) H21(0.067) H22(0.067) H23(0.068)
 H25A(0.081) H25B(0.081)
 Fixed X: H2(0.53503) H4(-0.17001) H2D(0.682268) H3(0.379918) H6(0.675515)
 H7(0.155486) H9(0.722614) H10(0.819017) H11(0.54398) H12(0.20588)
 H13(0.108154) H14A(-0.096189) H14B(0.051471) H16A(0.061311) H16B(0.33275)
 H19(0.575699) H20(0.631202) H21(0.352409) H22(0.004212) H23(-0.05661)
 H25A(0.228147) H25B(0.355243)
 Fixed Y: H2(0.421574) H4(0.774395) H2D(0.730459) H3(0.754088) H6(0.505597)
 H7(0.509663) H9(0.561602) H10(0.565775) H11(0.536296) H12(0.477245)
 H13(0.467672) H14A(0.71594) H14B(0.751698) H16A(0.694805) H16B(0.684233)
 H19(0.751289) H20(0.684264) H21(0.597125) H22(0.588595) H23(0.655865)
 H25A(0.857622) H25B(0.865061)
 Fixed Z: H2(0.637796) H4(0.822314) H2D(0.521383) H3(0.59262) H6(0.566894)
 H7(0.650224) H9(0.707749) H10(0.812526) H11(0.886658) H12(0.856521)
 H13(0.754296) H14A(0.686611) H14B(0.63154) H16A(0.777231) H16B(0.768809)
 H19(0.907015) H20(0.998071) H21(1.030578) H22(0.978878) H23(0.887551)
 H25A(0.661781) H25B(0.729257)
;
_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 0.9601(4) 0.59711(13) 0.48500(10) 0.0630(8) Uani 1 1 d . . . . .
O1 O 0.156(2) 0.6466(7) 0.6562(7) 0.049(4) Uani 1 1 d . . . . .
O2 O 0.395(2) 0.4296(7) 0.6295(7) 0.052(4) Uani 1 1 d . . . . .
H2 H 0.535030 0.421574 0.637796 0.077 Uiso 1 1 calc R U . . .
O3 O 0.164(2) 0.8855(9) 0.8580(7) 0.063(4) Uani 1 1 d . . . . .
O4 O -0.141(3) 0.8179(7) 0.8367(8) 0.053(4) Uani 1 1 d . . . . .
H4 H -0.170010 0.774395 0.822314 0.079 Uiso 1 1 calc R U . . .
C1 C 0.710(4) 0.6156(11) 0.5398(10) 0.055(6) Uani 1 1 d . . . . .
C2 C 0.620(4) 0.6899(11) 0.5454(9) 0.053(6) Uani 1 1 d . . . . .
H2D H 0.682268 0.730459 0.521383 0.063 Uiso 1 1 calc R U . . .
C3 C 0.438(4) 0.7038(11) 0.5869(8) 0.051(6) Uani 1 1 d . . . . .
H3 H 0.379918 0.754088 0.592620 0.061 Uiso 1 1 calc R U . . .
C4 C 0.345(4) 0.6422(13) 0.6195(9) 0.044(6) Uani 1 1 d . . . . .
C5 C 0.433(4) 0.5665(10) 0.6125(9) 0.037(5) Uani 1 1 d . . . . .
C6 C 0.615(3) 0.5556(11) 0.5723(10) 0.043(6) Uani 1 1 d . . . . .
H6 H 0.675515 0.505597 0.566894 0.051 Uiso 1 1 calc R U . . .
C7 C 0.328(4) 0.5051(11) 0.6522(9) 0.042(5) Uani 1 1 d . U . . .
H7 H 0.155486 0.509663 0.650224 0.050 Uiso 1 1 calc R U . . .
C8 C 0.403(4) 0.5128(10) 0.7186(9) 0.039(5) Uani 1 1 d . . . . .
C9 C 0.615(3) 0.5437(11) 0.7375(10) 0.044(6) Uani 1 1 d . . . . .
H9 H 0.722614 0.561602 0.707749 0.053 Uiso 1 1 calc R U . . .
C10 C 0.670(5) 0.5483(11) 0.8004(9) 0.054(7) Uani 1 1 d . . . . .
H10 H 0.819017 0.565775 0.812526 0.065 Uiso 1 1 calc R U . . .
C11 C 0.512(5) 0.5279(11) 0.8443(10) 0.063(6) Uani 1 1 d . U . . .
H11 H 0.543980 0.536296 0.886658 0.076 Uiso 1 1 calc R U . . .
C12 C 0.311(5) 0.4957(12) 0.8263(11) 0.069(7) Uani 1 1 d . U . . .
H12 H 0.205880 0.477245 0.856521 0.083 Uiso 1 1 calc R U . . .
C13 C 0.254(5) 0.4891(11) 0.7651(11) 0.051(6) Uani 1 1 d . . . . .
H13 H 0.108154 0.467672 0.754296 0.061 Uiso 1 1 calc R U . . .
C14 C 0.063(4) 0.7221(12) 0.6703(11) 0.061(6) Uani 1 1 d . . . . .
H14A H -0.096189 0.715940 0.686611 0.073 Uiso 1 1 calc R U . . .
H14B H 0.051471 0.751698 0.631540 0.073 Uiso 1 1 calc R U . . .
C15 C 0.199(5) 0.7665(12) 0.7146(11) 0.069(9) Uani 1 1 d . . . . .
C16 C 0.209(5) 0.7231(15) 0.7735(12) 0.085(9) Uani 1 1 d D U . . .
H16A H 0.061311 0.694805 0.777231 0.102 Uiso 1 1 calc R U . . .
H16B H 0.332750 0.684233 0.768809 0.102 Uiso 1 1 calc R U . . .
C17 C 0.248(5) 0.7602(17) 0.8313(13) 0.098(10) Uani 1 1 d D U . . .
C18 C 0.256(4) 0.7090(11) 0.8888(9) 0.047(5) Uani 1 1 d . U . . .
C19 C 0.459(4) 0.7175(12) 0.9215(10) 0.057(6) Uani 1 1 d . U . . .
H19 H 0.575699 0.751289 0.907015 0.069 Uiso 1 1 calc R U . . .
C20 C 0.493(4) 0.6774(12) 0.9750(9) 0.056(6) Uani 1 1 d . . . . .
H20 H 0.631202 0.684264 0.998071 0.068 Uiso 1 1 calc R U . . .
C21 C 0.326(4) 0.6274(11) 0.9950(10) 0.056(6) Uani 1 1 d . . . . .
H21 H 0.352409 0.597125 1.030578 0.067 Uiso 1 1 calc R U . . .
C22 C 0.122(4) 0.6212(11) 0.9634(11) 0.056(7) Uani 1 1 d . . . . .
H22 H 0.004212 0.588595 0.978878 0.067 Uiso 1 1 calc R U . . .
C23 C 0.085(4) 0.6613(14) 0.9096(10) 0.057(6) Uani 1 1 d . . . . .
H23 H -0.056610 0.655865 0.887551 0.068 Uiso 1 1 calc R U . . .
C24 C 0.080(5) 0.8273(13) 0.8396(9) 0.046(6) Uani 1 1 d . . . . .
C25 C 0.267(4) 0.8362(14) 0.7006(11) 0.067(7) Uani 1 1 d . . . . .
H25A H 0.228147 0.857622 0.661781 0.081 Uiso 1 1 calc R U . . .
H25B H 0.355243 0.865061 0.729257 0.081 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 C1 1.90(2) . ?
O1 C4 1.35(2) . ?
O1 C14 1.46(2) . ?
O2 H2 0.8400 . ?
O2 C7 1.46(2) . ?
O3 C24 1.19(3) . ?
O4 H4 0.8400 . ?
O4 C24 1.29(3) . ?
C1 C2 1.40(3) . ?
C1 C6 1.38(3) . ?
C2 H2D 0.9500 . ?
C2 C3 1.41(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.40(3) . ?
C4 C5 1.43(3) . ?
C5 C6 1.38(3) . ?
C5 C7 1.51(3) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.51(3) . ?
C8 C9 1.40(3) . ?
C8 C13 1.39(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.41(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.37(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.35(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.37(3) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.47(3) . ?
C15 C16 1.49(3) . ?
C15 C25 1.32(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.43(2) . ?
C17 C18 1.54(3) . ?
C17 C24 1.53(3) . ?
C18 C19 1.38(3) . ?
C18 C23 1.37(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.37(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.37(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.37(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.38(3) . ?
C23 H23 0.9500 . ?
C25 H25A 0.9500 . ?
C25 H25B 0.9500 . ?

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 O1 C14 118.2(17) . . ?
C7 O2 H2 109.5 . . ?
C24 O4 H4 109.5 . . ?
C2 C1 Br1 119.5(17) . . ?
C6 C1 Br1 119.7(15) . . ?
C6 C1 C2 121(2) . . ?
C1 C2 H2D 120.3 . . ?
C1 C2 C3 119(2) . . ?
C3 C2 H2D 120.3 . . ?
C2 C3 H3 120.6 . . ?
C4 C3 C2 118.7(19) . . ?
C4 C3 H3 120.6 . . ?
O1 C4 C3 124(2) . . ?
O1 C4 C5 113.8(19) . . ?
C3 C4 C5 121.5(19) . . ?
C4 C5 C7 117.1(18) . . ?
C6 C5 C4 117.9(17) . . ?
C6 C5 C7 124.9(17) . . ?
C1 C6 H6 119.2 . . ?
C5 C6 C1 121.6(18) . . ?
C5 C6 H6 119.2 . . ?
O2 C7 C5 110.0(16) . . ?
O2 C7 H7 108.7 . . ?
O2 C7 C8 109.1(16) . . ?
C5 C7 H7 108.7 . . ?
C5 C7 C8 111.7(17) . . ?
C8 C7 H7 108.7 . . ?
C9 C8 C7 124(2) . . ?
C13 C8 C7 119(2) . . ?
C13 C8 C9 116(2) . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120(2) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121(2) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 120.7 . . ?
C12 C11 C10 119(2) . . ?
C12 C11 H11 120.7 . . ?
C11 C12 H12 119.3 . . ?
C11 C12 C13 121(3) . . ?
C13 C12 H12 119.3 . . ?
C8 C13 H13 119.0 . . ?
C12 C13 C8 122(3) . . ?
C12 C13 H13 119.0 . . ?
O1 C14 H14A 108.6 . . ?
O1 C14 H14B 108.6 . . ?
O1 C14 C15 114.9(18) . . ?
H14A C14 H14B 107.5 . . ?
C15 C14 H14A 108.6 . . ?
C15 C14 H14B 108.6 . . ?
C14 C15 C16 108(2) . . ?
C25 C15 C14 120(2) . . ?
C25 C15 C16 131(3) . . ?
C15 C16 H16A 106.8 . . ?
C15 C16 H16B 106.8 . . ?
H16A C16 H16B 106.7 . . ?
C17 C16 C15 122(2) . . ?
C17 C16 H16A 106.8 . . ?
C17 C16 H16B 106.8 . . ?
C16 C17 C18 117(2) . . ?
C16 C17 C24 111(3) . . ?
C24 C17 C18 112(2) . . ?
C19 C18 C17 113(2) . . ?
C23 C18 C17 127(2) . . ?
C23 C18 C19 120.6(19) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120(2) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 120(2) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 120(2) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121(2) . . ?
C23 C22 H22 119.3 . . ?
C18 C23 C22 118(2) . . ?
C18 C23 H23 120.9 . . ?
C22 C23 H23 120.9 . . ?
O3 C24 O4 122(2) . . ?
O3 C24 C17 116(2) . . ?
O4 C24 C17 121(2) . . ?
C15 C25 H25A 120.0 . . ?
C15 C25 H25B 120.0 . . ?
H25A C25 H25B 120.0 . . ?

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 C1 C2 C3 -178.8(14) . . . . ?
Br1 C1 C6 C5 -179.9(15) . . . . ?
O1 C4 C5 C6 175.2(16) . . . . ?
O1 C4 C5 C7 -8(3) . . . . ?
O1 C14 C15 C16 -60(3) . . . . ?
O1 C14 C15 C25 127(2) . . . . ?
O2 C7 C8 C9 92(2) . . . . ?
O2 C7 C8 C13 -89(2) . . . . ?
C1 C2 C3 C4 -3(3) . . . . ?
C2 C1 C6 C5 -2(3) . . . . ?
C2 C3 C4 O1 -173.4(18) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C3 C4 C5 C7 176.9(18) . . . . ?
C4 O1 C14 C15 -75(2) . . . . ?
C4 C5 C6 C1 0(3) . . . . ?
C4 C5 C7 O2 166.3(17) . . . . ?
C4 C5 C7 C8 -72(2) . . . . ?
C5 C7 C8 C9 -30(3) . . . . ?
C5 C7 C8 C13 149.5(18) . . . . ?
C6 C1 C2 C3 3(3) . . . . ?
C6 C5 C7 O2 -17(3) . . . . ?
C6 C5 C7 C8 104(2) . . . . ?
C7 C5 C6 C1 -176(2) . . . . ?
C7 C8 C9 C10 -179.8(18) . . . . ?
C7 C8 C13 C12 -178.9(19) . . . . ?
C8 C9 C10 C11 -5(3) . . . . ?
C9 C8 C13 C12 0(3) . . . . ?
C9 C10 C11 C12 7(3) . . . . ?
C10 C11 C12 C13 -6(3) . . . . ?
C11 C12 C13 C8 2(3) . . . . ?
C13 C8 C9 C10 1(3) . . . . ?
C14 O1 C4 C3 -10(3) . . . . ?
C14 O1 C4 C5 175.3(17) . . . . ?
C14 C15 C16 C17 -156(3) . . . . ?
C15 C16 C17 C18 -180(2) . . . . ?
C15 C16 C17 C24 51(4) . . . . ?
C16 C17 C18 C19 124(3) . . . . ?
C16 C17 C18 C23 -58(4) . . . . ?
C16 C17 C24 O3 -134(2) . . . . ?
C16 C17 C24 O4 56(4) . . . . ?
C17 C18 C19 C20 178.5(19) . . . . ?
C17 C18 C23 C22 -178(2) . . . . ?
C18 C17 C24 O3 93(3) . . . . ?
C18 C17 C24 O4 -76(3) . . . . ?
C18 C19 C20 C21 2(3) . . . . ?
C19 C18 C23 C22 -1(3) . . . . ?
C19 C20 C21 C22 -4(3) . . . . ?
C20 C21 C22 C23 4(3) . . . . ?
C21 C22 C23 C18 -1(3) . . . . ?
C23 C18 C19 C20 1(3) . . . . ?
C24 C17 C18 C19 -107(3) . . . . ?
C24 C17 C18 C23 70(3) . . . . ?
C25 C15 C16 C17 17(5) . . . . ?

_shelx_SHELXL_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
