# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_gcl-20250730_auto
_database_code_depnum_ccdc_archive 'CCDC 2481872'
loop_
_audit_author_name
_audit_author_address
'Hehuan Xu'
;Henan Normal University
China
;
_audit_update_record             
;
2025-08-21 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;
_audit_creation_date             2025-08-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H29 Br O5'
_chemical_formula_sum            'C28 H29 Br O5'
_chemical_formula_weight         525.42
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1'
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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.7657(4)
_cell_length_b                   10.2109(4)
_cell_length_c                   12.7242(7)
_cell_angle_alpha                90
_cell_angle_beta                 102.499(5)
_cell_angle_gamma                90
_cell_volume                     1238.74(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3350
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      70.9970
_cell_measurement_theta_min      4.3350
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.560
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.81a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             544
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0597
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6243
_diffrn_reflns_point_group_measured_fraction_full 0.816
_diffrn_reflns_point_group_measured_fraction_max 0.816
_diffrn_reflns_theta_full        59.995
_diffrn_reflns_theta_max         59.995
_diffrn_reflns_theta_min         3.558
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -93.00 -20.00   1.00    1.89    --  -35.37 -57.00 120.00   73
  2  ω    -99.00 -55.00   1.00    1.89    --  -35.37 -57.00  30.00   44
  3  ω     31.00  72.00   1.00    1.89    --   35.37 -99.00 120.00   41
  4  ω      6.00 103.00   1.00    1.89    --   35.37  19.00 -90.00   97
  5  ω     14.00  71.00   1.00    1.89    --   35.37 -99.00   0.00   57
  6  ω    -32.00  52.00   1.00    1.89    --   35.37 -38.00 -90.00   84
  7  ω     28.00  94.00   1.00    1.89    --   35.37  57.00  90.00   66
  8  ω     23.00  73.00   1.00    1.89    --   35.37 -99.00-120.00   50
  9  ω     52.00 108.00   1.00    7.56    --  106.81-111.00 -90.00   56
 10  ω     81.00 108.00   1.00    7.56    --  106.81-111.00 -30.00   27
 11  ω     40.00 125.00   1.00    7.56    --  106.81 -61.00-180.00   85
 12  ω     69.00 160.00   1.00    7.56    --  106.81  15.00 -60.00   91
 13  ω    126.00 173.00   1.00    7.56    --  106.81  61.00 -30.00   47
 14  ω     46.00 119.00   1.00    7.56    --  106.81 -61.00 -90.00   73
 15  ω     90.00 122.00   1.00    7.56    --  106.81  61.00 -30.00   32
 16  ω    103.00 175.00   1.00    7.56    --  106.81  45.00   0.00   72
 17  ω     41.00  91.00   1.00    7.56    --  106.81-111.00-150.00   50
 18  ω     37.00 111.00   1.00    7.56    --  106.81 -30.00 -30.00   74
 19  ω     54.00 126.00   1.00    7.56    --  106.81 -30.00  30.00   72
 20  ω     40.00 105.00   1.00    7.56    --  106.81 -61.00  60.00   65
 21  ω     64.00  96.00   1.00    7.56    --  106.81 178.00  60.00   32
 22  ω     67.00 107.00   1.00    7.56    --  106.81-111.00  90.00   40
 23  ω     90.00 128.00   1.00    7.56    --  106.81 -77.00 -60.00   38
 24  ω     81.00 109.00   1.00    7.56    --  106.81-112.00 168.61   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0091574000
_diffrn_orient_matrix_UB_12      -0.0882014000
_diffrn_orient_matrix_UB_13      0.0964913000
_diffrn_orient_matrix_UB_21      0.0319630000
_diffrn_orient_matrix_UB_22      0.1188153000
_diffrn_orient_matrix_UB_23      0.0758529000
_diffrn_orient_matrix_UB_31      -0.1581922000
_diffrn_orient_matrix_UB_32      0.0291953000
_diffrn_orient_matrix_UB_33      -0.0176966000
_diffrn_oxdiff_digest_frames     
;
01f4cff74926875d59958121b32265d7b600029db1e
;
_diffrn_oxdiff_digest_hkl        
;
019127f5dc9f2a70dcb4ecdba651269f8062e5
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.538
_reflns_Friedel_fraction_full    0.610
_reflns_Friedel_fraction_max     0.610
_reflns_number_gt                2404
_reflns_number_total             2992
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.81a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.639
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.182
_refine_ls_abs_structure_details 
;
 Flack x determined using 613 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.18(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.662
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         2992
_refine_ls_number_restraints     319
_refine_ls_R_factor_all          0.1558
_refine_ls_R_factor_gt           0.1362
_refine_ls_restrained_S_all      1.648
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3908
_refine_ls_wR_factor_ref         0.4017
_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-O5
 1.2 with sigma of 0.02
 O4-C22
 1.2 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.01
5.a Ternary CH refined with riding coordinates:
 C6(H6), C11(H11), C5(H5), C21(H21), C20(H20)
5.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C7(H7A,H7B), C1(H1A,H1B), C2(H2A,H2B), C8(H8A,H8B), C13(H13A,
 H13B)
5.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C18(H18), C24(H24), C15(H15), C28(H28), C25(H25), C17(H17),
 C27(H27), C22(H22)
5.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C)
;
_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 0.2953(3) 0.6727(3) 0.1585(2) 0.1027(15) Uani 1 1 d . U . . .
C6 C 1.1754(18) 0.570(2) 0.6792(17) 0.051(4) Uani 1 1 d . U . . .
H6 H 1.198969 0.500679 0.630115 0.061 Uiso 1 1 calc R . . . .
C11 C 1.0438(17) 0.529(2) 0.7174(16) 0.050(4) Uani 1 1 d . U . . .
H11 H 1.022743 0.600547 0.764918 0.060 Uiso 1 1 calc R . . . .
O2 O 0.4679(15) 0.633(2) 0.4044(15) 0.085(5) Uani 1 1 d . U . . .
C23 C 0.1155(18) 0.436(2) 0.1995(15) 0.051(4) Uani 1 1 d . U . . .
O4 O 0.3111(15) 0.3289(17) 0.3308(13) 0.073(4) Uani 1 1 d D U . . .
O3 O 0.5884(17) 0.474(2) 0.3500(16) 0.089(5) Uani 1 1 d . U . . .
C9 C 0.922(2) 0.582(2) 0.5242(18) 0.062(4) Uani 1 1 d . U . . .
C26 C -0.139(2) 0.378(3) 0.0625(16) 0.061(5) Uani 1 1 d . U . . .
H26 H -0.224537 0.357335 0.014060 0.073 Uiso 1 1 calc R . . . .
C10 C 0.9191(17) 0.5194(19) 0.6233(17) 0.052(4) Uani 1 1 d . U . . .
C5 C 1.297(2) 0.583(2) 0.777(2) 0.065(5) Uani 1 1 d . U . . .
H5 H 1.263815 0.647068 0.825572 0.078 Uiso 1 1 calc R . . . .
C18 C 0.691(2) 0.437(3) 0.528(2) 0.068(5) Uani 1 1 d . U . . .
H18 H 0.608304 0.387974 0.528790 0.082 Uiso 1 1 calc R . . . .
C12 C 1.067(2) 0.400(3) 0.7881(18) 0.063(5) Uani 1 1 d . U . . .
H12A H 0.982842 0.384327 0.818260 0.076 Uiso 1 1 calc R . . . .
H12B H 1.077022 0.324485 0.741565 0.076 Uiso 1 1 calc R . . . .
C24 C -0.008(2) 0.513(3) 0.2014(19) 0.066(5) Uani 1 1 d . U . . .
H24 H -0.003101 0.584434 0.249433 0.079 Uiso 1 1 calc R . . . .
C16 C 0.695(2) 0.496(3) 0.445(2) 0.073(5) Uani 1 1 d . U . . .
C15 C 0.806(2) 0.563(2) 0.436(2) 0.067(5) Uani 1 1 d . U . . .
H15 H 0.809547 0.600937 0.368023 0.081 Uiso 1 1 calc R . . . .
C28 C 0.1014(18) 0.332(2) 0.1281(14) 0.047(4) Uani 1 1 d . U . . .
H28 H 0.179402 0.277460 0.125470 0.056 Uiso 1 1 calc R . . . .
O1 O 1.488(2) 0.439(3) 1.0125(19) 0.104(5) Uani 1 1 d . U . . .
C4 C 1.322(2) 0.456(3) 0.8403(19) 0.067(4) Uani 1 1 d . U . . .
C25 C -0.134(2) 0.480(3) 0.132(2) 0.075(6) Uani 1 1 d . U . . .
H25 H -0.217142 0.528072 0.133417 0.090 Uiso 1 1 calc R . . . .
C17 C 0.800(2) 0.437(3) 0.626(2) 0.073(5) Uani 1 1 d . U . . .
H17 H 0.793808 0.386160 0.686709 0.088 Uiso 1 1 calc R . . . .
C27 C -0.0266(19) 0.309(2) 0.0613(16) 0.055(4) Uani 1 1 d . U . . .
H27 H -0.034129 0.238203 0.011498 0.066 Uiso 1 1 calc R . . . .
C19 C 0.481(3) 0.554(3) 0.338(2) 0.082(5) Uani 1 1 d . U . . .
C7 C 1.142(2) 0.697(3) 0.617(2) 0.079(6) Uani 1 1 d . U . . .
H7A H 1.229127 0.737869 0.604390 0.095 Uiso 1 1 calc R . . . .
H7B H 1.095031 0.759215 0.657101 0.095 Uiso 1 1 calc R . . . .
C1 C 1.435(2) 0.629(3) 0.770(2) 0.090(7) Uani 1 1 d . U . . .
H1A H 1.435070 0.725121 0.759996 0.108 Uiso 1 1 calc R . . . .
H1B H 1.465600 0.586732 0.708631 0.108 Uiso 1 1 calc R . . . .
C21 C 0.244(2) 0.459(3) 0.2823(17) 0.066(4) Uani 1 1 d . U . . .
H21 H 0.225049 0.517949 0.340196 0.079 Uiso 1 1 calc R . . . .
C2 C 1.529(2) 0.588(4) 0.878(3) 0.096(7) Uani 1 1 d . U . . .
H2A H 1.619750 0.553451 0.866960 0.116 Uiso 1 1 calc R . . . .
H2B H 1.548646 0.664562 0.927210 0.116 Uiso 1 1 calc R . . . .
C20 C 0.367(2) 0.509(3) 0.2395(19) 0.068(5) Uani 1 1 d . U . . .
H20 H 0.402238 0.442777 0.193767 0.082 Uiso 1 1 calc R . . . .
C3 C 1.455(3) 0.490(4) 0.922(2) 0.093(5) Uani 1 1 d . U . . .
C14 C 1.371(3) 0.346(3) 0.776(2) 0.078(5) Uani 1 1 d . U . . .
H14A H 1.292873 0.317263 0.719012 0.117 Uiso 1 1 calc GR . . . .
H14B H 1.404321 0.272259 0.824359 0.117 Uiso 1 1 calc GR . . . .
H14C H 1.447608 0.377999 0.744565 0.117 Uiso 1 1 calc GR . . . .
C8 C 1.039(2) 0.655(3) 0.503(2) 0.086(6) Uani 1 1 d . U . . .
H8A H 1.004459 0.734950 0.461539 0.103 Uiso 1 1 calc R . . . .
H8B H 1.091030 0.601637 0.460601 0.103 Uiso 1 1 calc R . . . .
C13 C 1.197(3) 0.408(3) 0.881(2) 0.074(5) Uani 1 1 d . U . . .
H13A H 1.178447 0.468373 0.937189 0.089 Uiso 1 1 calc R . . . .
H13B H 1.217670 0.320234 0.914080 0.089 Uiso 1 1 calc R . . . .
C22 C 0.273(2) 0.3192(16) 0.4083(11) 0.041(4) Uani 1 1 d D U . . .
H22 H 0.321602 0.249635 0.450273 0.049 Uiso 1 1 calc R . . . .
O5 O 0.197(2) 0.366(2) 0.4515(15) 0.092(5) Uani 1 1 d D 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 2.01(2) . ?
C6 C11 1.53(3) . ?
C6 C5 1.53(2) . ?
C6 C7 1.52(3) . ?
C11 C10 1.52(2) . ?
C11 C12 1.58(3) . ?
O2 C19 1.20(3) . ?
C23 C24 1.44(3) . ?
C23 C28 1.39(3) . ?
C23 C21 1.47(3) . ?
O4 C21 1.55(3) . ?
O4 C22 1.129(18) . ?
O3 C16 1.43(3) . ?
O3 C19 1.31(3) . ?
C9 C10 1.42(3) . ?
C9 C15 1.42(3) . ?
C9 C8 1.44(3) . ?
C26 C25 1.36(4) . ?
C26 C27 1.31(3) . ?
C10 C17 1.44(3) . ?
C5 C4 1.52(3) . ?
C5 C1 1.44(3) . ?
C18 C16 1.22(4) . ?
C18 C17 1.45(4) . ?
C12 C13 1.54(3) . ?
C24 C25 1.40(3) . ?
C16 C15 1.31(4) . ?
C28 C27 1.37(3) . ?
O1 C3 1.24(4) . ?
C4 C3 1.52(4) . ?
C4 C14 1.52(4) . ?
C4 C13 1.50(4) . ?
C19 C20 1.56(3) . ?
C7 C8 1.63(3) . ?
C1 C2 1.54(3) . ?
C21 C20 1.50(4) . ?
C2 C3 1.42(5) . ?
C22 O5 1.12(2) . ?

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
C11 C6 C5 109.0(17) . . ?
C7 C6 C11 107.5(17) . . ?
C7 C6 C5 112.6(17) . . ?
C6 C11 C12 112.5(15) . . ?
C10 C11 C6 110.7(17) . . ?
C10 C11 C12 112.9(17) . . ?
C24 C23 C21 119.4(19) . . ?
C28 C23 C24 117.5(17) . . ?
C28 C23 C21 122.5(18) . . ?
C22 O4 C21 103.6(18) . . ?
C19 O3 C16 115(2) . . ?
C10 C9 C15 119(2) . . ?
C10 C9 C8 124.3(17) . . ?
C15 C9 C8 117(2) . . ?
C27 C26 C25 120.9(19) . . ?
C9 C10 C11 120.6(18) . . ?
C9 C10 C17 116.7(19) . . ?
C17 C10 C11 122(2) . . ?
C4 C5 C6 110.9(18) . . ?
C1 C5 C6 123(2) . . ?
C1 C5 C4 105.5(19) . . ?
C16 C18 C17 125(2) . . ?
C13 C12 C11 112.6(19) . . ?
C25 C24 C23 119(2) . . ?
C18 C16 O3 120(2) . . ?
C18 C16 C15 121(2) . . ?
C15 C16 O3 118(3) . . ?
C16 C15 C9 122(3) . . ?
C27 C28 C23 119.2(19) . . ?
C3 C4 C5 100(2) . . ?
C3 C4 C14 102(2) . . ?
C14 C4 C5 112(2) . . ?
C13 C4 C5 114(2) . . ?
C13 C4 C3 119(2) . . ?
C13 C4 C14 109(2) . . ?
C26 C25 C24 120(2) . . ?
C10 C17 C18 116(2) . . ?
C26 C27 C28 123(2) . . ?
O2 C19 O3 123(2) . . ?
O2 C19 C20 127(2) . . ?
O3 C19 C20 109(2) . . ?
C6 C7 C8 105(2) . . ?
C5 C1 C2 104(2) . . ?
C23 C21 O4 112(2) . . ?
C23 C21 C20 114.5(18) . . ?
C20 C21 O4 97.7(17) . . ?
C3 C2 C1 106(2) . . ?
C19 C20 Br1 105.7(19) . . ?
C21 C20 Br1 104.6(15) . . ?
C21 C20 C19 108(2) . . ?
O1 C3 C4 123(3) . . ?
O1 C3 C2 127(3) . . ?
C2 C3 C4 109(2) . . ?
C9 C8 C7 110(2) . . ?
C4 C13 C12 110.3(19) . . ?
O5 C22 O4 140(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.382
_oxdiff_exptl_absorpt_empirical_full_min 0.661
