# Supplementary Information (SI) for ChemComm.
# 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. 
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data_sk_n4158b_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2481146'
loop_
_audit_author_name
_audit_author_address
'Tharmalingam Punniyamurthy'
;Indian Institute of Technology, Guwahati
India
;
_audit_update_record             
;
2025-08-18 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        SK-N4-158-B
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H21 Br2 N O6'
_chemical_formula_weight         567.23

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.1233(5)
_cell_length_b                   26.4151(11)
_cell_length_c                   8.7332(4)
_cell_angle_alpha                90
_cell_angle_beta                 103.7090(10)
_cell_angle_gamma                90
_cell_volume                     2268.80(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       NEEDLE
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_F_000             1136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    3.613
_shelx_estimated_absorpt_T_min   0.632
_shelx_estimated_absorpt_T_max   0.869
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56520
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.542
_diffrn_reflns_theta_max         25.687
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4297
_reflns_number_gt                3524
_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_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0643P)²+2.2725P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         4297
_refine_ls_number_parameters     292
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0373
_refine_ls_wR_factor_ref         0.1242
_refine_ls_wR_factor_gt          0.1105
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_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 -0.05959(5) 0.70973(2) 0.00196(8) 0.0847(2) Uani 1 1 d . . . . .
Br2 Br 0.70658(5) 0.44569(2) 0.26189(5) 0.05313(16) Uani 1 1 d . . . . .
O1 O 0.6472(2) 0.59162(9) 0.5178(2) 0.0374(5) Uani 1 1 d . . . . .
O2 O 0.9598(3) 0.48030(11) 0.7258(3) 0.0531(7) Uani 1 1 d . . . . .
O3 O 0.6014(3) 0.73140(10) 0.1059(3) 0.0536(7) Uani 1 1 d . . . . .
O4 O 0.9462(3) 0.60728(11) 0.4961(3) 0.0608(8) Uani 1 1 d . . . . .
O5 O 0.7351(3) 0.47767(10) 0.6987(3) 0.0462(6) Uani 1 1 d . . . . .
O6 O 0.9321(3) 0.59265(11) 0.7437(3) 0.0635(8) Uani 1 1 d . . . . .
N1 N 0.6206(3) 0.65502(11) -0.0128(3) 0.0363(6) Uani 1 1 d . . . . .
C1 C 0.3896(3) 0.67444(12) 0.2599(4) 0.0349(7) Uani 1 1 d . . . . .
C2 C 0.3172(4) 0.71255(14) 0.3138(5) 0.0471(9) Uani 1 1 d . . . . .
H2 H 0.358340 0.730628 0.403840 0.056 Uiso 1 1 calc R U . . .
C3 C 0.1850(4) 0.72406(16) 0.2358(5) 0.0550(10) Uani 1 1 d . . . . .
H3 H 0.137776 0.749641 0.273068 0.066 Uiso 1 1 calc R U . . .
C4 C 0.1246(4) 0.69740(14) 0.1033(5) 0.0479(9) Uani 1 1 d . . . . .
C5 C 0.1932(4) 0.66020(14) 0.0437(4) 0.0453(8) Uani 1 1 d . . . . .
H5 H 0.151894 0.643071 -0.048219 0.054 Uiso 1 1 calc R U . . .
C6 C 0.3253(4) 0.64874(14) 0.1233(4) 0.0415(8) Uani 1 1 d . . . . .
H6 H 0.372002 0.623305 0.084613 0.050 Uiso 1 1 calc R U . . .
C7 C 0.5285(3) 0.66000(12) 0.3546(4) 0.0349(7) Uani 1 1 d . . . . .
H7 H 0.559714 0.686626 0.432966 0.042 Uiso 1 1 calc R U . . .
C8 C 0.6394(3) 0.65257(12) 0.2597(3) 0.0319(7) Uani 1 1 d . . . . .
H8 H 0.727396 0.661582 0.329031 0.038 Uiso 1 1 calc R U . . .
C9 C 0.6180(4) 0.68587(13) 0.1136(4) 0.0377(7) Uani 1 1 d . . . . .
C10 C 0.6409(3) 0.60458(12) 0.0334(4) 0.0326(7) Uani 1 1 d . . . . .
C11 C 0.6524(3) 0.60059(12) 0.1958(3) 0.0305(7) Uani 1 1 d . . . . .
C12 C 0.5161(4) 0.61085(14) 0.4431(4) 0.0385(8) Uani 1 1 d . . . . .
H12A H 0.464828 0.617169 0.521954 0.046 Uiso 1 1 calc R U . . .
H12B H 0.467183 0.585858 0.369795 0.046 Uiso 1 1 calc R U . . .
C13 C 0.6858(3) 0.54732(12) 0.4457(3) 0.0326(7) Uani 1 1 d . . . . .
H13 H 0.625532 0.519620 0.460238 0.039 Uiso 1 1 calc R U . . .
C14 C 0.8315(3) 0.53402(12) 0.5369(4) 0.0321(7) Uani 1 1 d . . . . .
H14 H 0.879146 0.519767 0.461308 0.039 Uiso 1 1 calc R U . . .
C15 C 0.8335(3) 0.49456(12) 0.6633(4) 0.0339(7) Uani 1 1 d . . . . .
C16 C 0.9778(5) 0.4409(2) 0.8445(6) 0.0745(15) Uani 1 1 d . . . . .
H16A H 0.925911 0.411619 0.801412 0.112 Uiso 1 1 calc R U . . .
H16B H 0.947160 0.452929 0.933891 0.112 Uiso 1 1 calc R U . . .
H16C H 1.072308 0.431999 0.876878 0.112 Uiso 1 1 calc R U . . .
C17 C 0.6001(5) 0.67342(16) -0.1727(4) 0.0525(10) Uani 1 1 d . . . . .
H17A H 0.513441 0.662066 -0.233607 0.079 Uiso 1 1 calc R U . . .
H17B H 0.670829 0.660649 -0.218472 0.079 Uiso 1 1 calc R U . . .
H17C H 0.602465 0.709751 -0.172149 0.079 Uiso 1 1 calc R U . . .
C18 C 0.6494(4) 0.56318(14) -0.0598(4) 0.0380(8) Uani 1 1 d . . . . .
H18 H 0.643042 0.566617 -0.167281 0.046 Uiso 1 1 calc R U . . .
C19 C 0.6680(4) 0.51606(14) 0.0132(4) 0.0399(8) Uani 1 1 d . . . . .
H19 H 0.672504 0.487103 -0.045983 0.048 Uiso 1 1 calc R U . . .
C20 C 0.6798(3) 0.51230(12) 0.1738(4) 0.0348(7) Uani 1 1 d . . . . .
C21 C 0.6735(3) 0.55386(12) 0.2701(3) 0.0312(7) Uani 1 1 d . . . . .
C22 C 0.9088(4) 0.58080(13) 0.6084(4) 0.0430(8) Uani 1 1 d . . . . .
C23 C 1.0171(7) 0.6545(2) 0.5466(8) 0.103(2) Uani 1 1 d . . . . .
H23A H 1.024668 0.673760 0.455758 0.154 Uiso 1 1 calc R U . . .
H23B H 1.106280 0.647330 0.610030 0.154 Uiso 1 1 calc R U . . .
H23C H 0.967043 0.673727 0.607294 0.154 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 C4 1.893(4) . ?
Br2 C20 1.914(3) . ?
O1 C13 1.426(4) . ?
O1 C12 1.426(4) . ?
O2 C15 1.321(4) . ?
O2 C16 1.450(5) . ?
O3 C9 1.214(4) . ?
O4 C22 1.331(5) . ?
O4 C23 1.455(6) . ?
O5 C15 1.197(4) . ?
O6 C22 1.191(4) . ?
N1 C9 1.377(4) . ?
N1 C10 1.393(4) . ?
N1 C17 1.446(4) . ?
C1 C2 1.391(5) . ?
C1 C6 1.393(5) . ?
C1 C7 1.501(5) . ?
C2 C3 1.383(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.369(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(6) . ?
C5 C6 1.386(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.531(5) . ?
C7 C8 1.558(5) . ?
C7 H7 0.9800 . ?
C8 C11 1.500(4) . ?
C8 C9 1.523(4) . ?
C8 H8 0.9800 . ?
C10 C18 1.378(5) . ?
C10 C11 1.399(4) . ?
C11 C21 1.387(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C21 1.518(4) . ?
C13 C14 1.542(4) . ?
C13 H13 0.9800 . ?
C14 C15 1.515(4) . ?
C14 C22 1.516(5) . ?
C14 H14 0.9800 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.391(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.394(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
C13 O1 C12 114.4(2) . . ?
C15 O2 C16 116.4(3) . . ?
C22 O4 C23 115.7(4) . . ?
C9 N1 C10 111.3(3) . . ?
C9 N1 C17 123.3(3) . . ?
C10 N1 C17 125.4(3) . . ?
C2 C1 C6 117.7(3) . . ?
C2 C1 C7 119.8(3) . . ?
C6 C1 C7 122.3(3) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 119.3(4) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 121.5(4) . . ?
C3 C4 Br1 120.0(3) . . ?
C5 C4 Br1 118.4(3) . . ?
C4 C5 C6 118.7(4) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C5 C6 C1 121.5(3) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C1 C7 C12 108.4(3) . . ?
C1 C7 C8 116.0(3) . . ?
C12 C7 C8 108.5(3) . . ?
C1 C7 H7 107.9 . . ?
C12 C7 H7 107.9 . . ?
C8 C7 H7 107.9 . . ?
C11 C8 C9 103.0(2) . . ?
C11 C8 C7 116.8(3) . . ?
C9 C8 C7 113.3(3) . . ?
C11 C8 H8 107.8 . . ?
C9 C8 H8 107.8 . . ?
C7 C8 H8 107.8 . . ?
O3 C9 N1 124.8(3) . . ?
O3 C9 C8 127.5(3) . . ?
N1 C9 C8 107.7(3) . . ?
C18 C10 N1 127.8(3) . . ?
C18 C10 C11 122.5(3) . . ?
N1 C10 C11 109.7(3) . . ?
C21 C11 C10 120.5(3) . . ?
C21 C11 C8 131.1(3) . . ?
C10 C11 C8 108.3(3) . . ?
O1 C12 C7 110.8(3) . . ?
O1 C12 H12A 109.5 . . ?
C7 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 108.1 . . ?
O1 C13 C21 112.8(3) . . ?
O1 C13 C14 106.7(2) . . ?
C21 C13 C14 112.7(3) . . ?
O1 C13 H13 108.2 . . ?
C21 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
C15 C14 C22 110.1(3) . . ?
C15 C14 C13 112.3(3) . . ?
C22 C14 C13 111.4(3) . . ?
C15 C14 H14 107.6 . . ?
C22 C14 H14 107.6 . . ?
C13 C14 H14 107.6 . . ?
O5 C15 O2 124.8(3) . . ?
O5 C15 C14 125.2(3) . . ?
O2 C15 C14 110.0(3) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C10 C18 C19 117.4(3) . . ?
C10 C18 H18 121.3 . . ?
C19 C18 H18 121.3 . . ?
C20 C19 C18 119.9(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 123.4(3) . . ?
C19 C20 Br2 116.3(2) . . ?
C21 C20 Br2 120.2(2) . . ?
C11 C21 C20 116.2(3) . . ?
C11 C21 C13 122.7(3) . . ?
C20 C21 C13 121.0(3) . . ?
O6 C22 O4 124.7(4) . . ?
O6 C22 C14 125.8(3) . . ?
O4 C22 C14 109.5(3) . . ?
O4 C23 H23A 109.5 . . ?
O4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
C6 C1 C2 C3 1.0(6) . . . . ?
C7 C1 C2 C3 -174.9(4) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C2 C3 C4 C5 -1.5(6) . . . . ?
C2 C3 C4 Br1 176.2(3) . . . . ?
C3 C4 C5 C6 2.0(6) . . . . ?
Br1 C4 C5 C6 -175.9(3) . . . . ?
C4 C5 C6 C1 -0.9(6) . . . . ?
C2 C1 C6 C5 -0.5(5) . . . . ?
C7 C1 C6 C5 175.3(3) . . . . ?
C2 C1 C7 C12 102.2(4) . . . . ?
C6 C1 C7 C12 -73.6(4) . . . . ?
C2 C1 C7 C8 -135.6(3) . . . . ?
C6 C1 C7 C8 48.7(5) . . . . ?
C1 C7 C8 C11 -88.8(3) . . . . ?
C12 C7 C8 C11 33.4(4) . . . . ?
C1 C7 C8 C9 30.6(4) . . . . ?
C12 C7 C8 C9 152.9(3) . . . . ?
C10 N1 C9 O3 -179.7(3) . . . . ?
C17 N1 C9 O3 -1.7(6) . . . . ?
C10 N1 C9 C8 0.3(4) . . . . ?
C17 N1 C9 C8 178.4(3) . . . . ?
C11 C8 C9 O3 179.5(4) . . . . ?
C7 C8 C9 O3 52.5(5) . . . . ?
C11 C8 C9 N1 -0.5(3) . . . . ?
C7 C8 C9 N1 -127.6(3) . . . . ?
C9 N1 C10 C18 -179.9(3) . . . . ?
C17 N1 C10 C18 2.1(6) . . . . ?
C9 N1 C10 C11 0.1(4) . . . . ?
C17 N1 C10 C11 -178.0(3) . . . . ?
C18 C10 C11 C21 0.2(5) . . . . ?
N1 C10 C11 C21 -179.8(3) . . . . ?
C18 C10 C11 C8 179.6(3) . . . . ?
N1 C10 C11 C8 -0.4(4) . . . . ?
C9 C8 C11 C21 179.9(3) . . . . ?
C7 C8 C11 C21 -55.3(5) . . . . ?
C9 C8 C11 C10 0.5(3) . . . . ?
C7 C8 C11 C10 125.4(3) . . . . ?
C13 O1 C12 C7 -108.0(3) . . . . ?
C1 C7 C12 O1 172.0(2) . . . . ?
C8 C7 C12 O1 45.3(3) . . . . ?
C12 O1 C13 C21 52.9(4) . . . . ?
C12 O1 C13 C14 177.2(2) . . . . ?
O1 C13 C14 C15 95.9(3) . . . . ?
C21 C13 C14 C15 -139.8(3) . . . . ?
O1 C13 C14 C22 -28.1(3) . . . . ?
C21 C13 C14 C22 96.2(3) . . . . ?
C16 O2 C15 O5 0.6(6) . . . . ?
C16 O2 C15 C14 -177.4(4) . . . . ?
C22 C14 C15 O5 119.6(4) . . . . ?
C13 C14 C15 O5 -5.1(5) . . . . ?
C22 C14 C15 O2 -62.3(4) . . . . ?
C13 C14 C15 O2 173.0(3) . . . . ?
N1 C10 C18 C19 -179.0(3) . . . . ?
C11 C10 C18 C19 1.0(5) . . . . ?
C10 C18 C19 C20 -1.2(5) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C18 C19 C20 Br2 -179.5(3) . . . . ?
C10 C11 C21 C20 -1.1(5) . . . . ?
C8 C11 C21 C20 179.6(3) . . . . ?
C10 C11 C21 C13 -179.6(3) . . . . ?
C8 C11 C21 C13 1.2(5) . . . . ?
C19 C20 C21 C11 0.9(5) . . . . ?
Br2 C20 C21 C11 -179.3(2) . . . . ?
C19 C20 C21 C13 179.4(3) . . . . ?
Br2 C20 C21 C13 -0.8(4) . . . . ?
O1 C13 C21 C11 11.5(4) . . . . ?
C14 C13 C21 C11 -109.4(3) . . . . ?
O1 C13 C21 C20 -166.9(3) . . . . ?
C14 C13 C21 C20 72.2(4) . . . . ?
C23 O4 C22 O6 -1.8(6) . . . . ?
C23 O4 C22 C14 177.7(4) . . . . ?
C15 C14 C22 O6 -21.4(5) . . . . ?
C13 C14 C22 O6 103.8(4) . . . . ?
C15 C14 C22 O4 159.1(3) . . . . ?
C13 C14 C22 O4 -75.6(4) . . . . ?

_refine_diff_density_max         0.847
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.082


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ACETONITRILE'
