# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4a
_database_code_depnum_ccdc_archive 'CCDC 2380456'
loop_
_audit_author_name
_audit_author_address
'Ying-Chun Chen'
;Sichuan University
China
;
_audit_update_record             
;
2024-08-29 deposited with the CCDC.	2024-09-23 downloaded from the CCDC.
;
_audit_creation_date             2021-07-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H21 N O2 S'
_chemical_formula_sum            'C24 H21 N O2 S'
_chemical_formula_weight         387.48
_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'
S S 0.1246 0.1234 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0757(12)
_cell_length_b                   10.1099(15)
_cell_length_c                   12.7198(16)
_cell_angle_alpha                98.635(5)
_cell_angle_beta                 100.210(4)
_cell_angle_gamma                99.599(5)
_cell_volume                     990.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9998
_cell_measurement_temperature    270(2)
_cell_measurement_theta_max      27.477
_cell_measurement_theta_min      2.615
_shelx_estimated_absorpt_T_max   0.957
_shelx_estimated_absorpt_T_min   0.912
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1078 before and 0.0762 after correction.
The Ratio of minimum to maximum transmission is 0.8313.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            41463
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.585
_diffrn_reflns_theta_min         2.079
_diffrn_ambient_temperature      270.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_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           1.4
_diffrn_source_power             0.07
_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                3549
_reflns_number_total             4572
_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 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4572
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0535
_refine_ls_restrained_S_all      1.039
_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)+(0.0820P)²+0.3941P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1472
_refine_ls_wR_factor_ref         0.1585
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N1(H1), C1(H1A), C2(H2), C3(H3), C8(H8), C9(H9), C12(H12), C13(H13), C14(H14),
  C15(H15), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C18(H18A,H18B,H18C)
;
_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
S1 S 0.59405(6) 0.54778(5) 0.68916(4) 0.04154(17) Uani 1 1 d . . . . .
O1 O 0.5892(2) 0.62836(16) 0.60502(12) 0.0544(4) Uani 1 1 d . . . . .
O2 O 0.75448(19) 0.54974(17) 0.75878(13) 0.0548(4) Uani 1 1 d . . . . .
N1 N 0.5075(2) 0.39262(17) 0.62684(13) 0.0417(4) Uani 1 1 d . . . . .
H1 H 0.4426 0.3797 0.5633 0.050 Uiso 1 1 calc R U . . .
C1 C 1.0065(3) 0.2160(3) 0.4422(2) 0.0570(6) Uani 1 1 d . . . . .
H1A H 1.0859 0.2177 0.3974 0.068 Uiso 1 1 calc R U . . .
C2 C 1.0183(3) 0.3256(3) 0.5237(2) 0.0606(6) Uani 1 1 d . . . . .
H2 H 1.1052 0.4020 0.5331 0.073 Uiso 1 1 calc R U . . .
C3 C 0.9020(3) 0.3232(2) 0.5918(2) 0.0543(6) Uani 1 1 d . . . . .
H3 H 0.9111 0.3982 0.6462 0.065 Uiso 1 1 calc R U . . .
C4 C 0.7725(3) 0.2100(2) 0.57957(17) 0.0449(5) Uani 1 1 d . . . . .
C5 C 0.6530(3) 0.1993(2) 0.65485(16) 0.0439(5) Uani 1 1 d . . . . .
C6 C 0.5363(3) 0.2774(2) 0.67455(15) 0.0411(4) Uani 1 1 d . . . . .
C7 C 0.4561(3) 0.5984(2) 0.77339(15) 0.0389(4) Uani 1 1 d . . . . .
C8 C 0.5034(3) 0.6079(2) 0.88449(16) 0.0467(5) Uani 1 1 d . . . . .
H8 H 0.6095 0.5911 0.9151 0.056 Uiso 1 1 calc R U . . .
C9 C 0.3915(3) 0.6425(2) 0.94965(17) 0.0506(5) Uani 1 1 d . . . . .
H9 H 0.4238 0.6499 1.0245 0.061 Uiso 1 1 calc R U . . .
C10 C 0.2320(3) 0.6663(2) 0.90536(18) 0.0478(5) Uani 1 1 d . . . . .
C11 C 0.1089(4) 0.7008(3) 0.9771(2) 0.0686(7) Uani 1 1 d . . . . .
H11A H 0.1342 0.6656 1.0428 0.103 Uiso 1 1 calc R U . . .
H11B H -0.0067 0.6607 0.9394 0.103 Uiso 1 1 calc R U . . .
H11C H 0.1209 0.7982 0.9945 0.103 Uiso 1 1 calc R U . . .
C12 C 0.2996(3) 0.6275(2) 0.72769(17) 0.0471(5) Uani 1 1 d . . . . .
H12 H 0.2700 0.6250 0.6532 0.057 Uiso 1 1 calc R U . . .
C13 C 0.1889(3) 0.6602(2) 0.79396(19) 0.0515(5) Uani 1 1 d . . . . .
H13 H 0.0835 0.6784 0.7635 0.062 Uiso 1 1 calc R U . . .
C14 C 0.8765(3) 0.1040(3) 0.4275(2) 0.0629(7) Uani 1 1 d . . . . .
H14 H 0.8665 0.0303 0.3718 0.075 Uiso 1 1 calc R U . . .
C15 C 0.7608(3) 0.1009(3) 0.49533(19) 0.0579(6) Uani 1 1 d . . . . .
H15 H 0.6733 0.0247 0.4847 0.069 Uiso 1 1 calc R U . . .
C16 C 0.6445(3) 0.0943(2) 0.72367(17) 0.0482(5) Uani 1 1 d . . . . .
C17 C 0.7641(3) 0.0150(2) 0.73673(19) 0.0562(6) Uani 1 1 d . . . . .
H17 H 0.8434 0.0213 0.6920 0.067 Uiso 1 1 calc R U . . .
C18 C 0.7830(4) -0.0797(3) 0.8133(2) 0.0714(8) Uani 1 1 d . . . . .
H18A H 0.7134 -0.0638 0.8660 0.107 Uiso 1 1 calc R U . . .
H18B H 0.9011 -0.0651 0.8497 0.107 Uiso 1 1 calc R U . . .
H18C H 0.7468 -0.1720 0.7743 0.107 Uiso 1 1 calc R U . . .
C19 C 0.5015(3) 0.1097(2) 0.77873(17) 0.0495(5) Uani 1 1 d . . . . .
C20 C 0.4235(4) 0.0364(3) 0.8463(2) 0.0621(7) Uani 1 1 d . . . . .
H20 H 0.4653 -0.0377 0.8680 0.075 Uiso 1 1 calc R U . . .
C21 C 0.2849(4) 0.0739(3) 0.8810(2) 0.0698(8) Uani 1 1 d . . . . .
H21 H 0.2328 0.0240 0.9262 0.084 Uiso 1 1 calc R U . . .
C22 C 0.2184(3) 0.1851(3) 0.8506(2) 0.0679(8) Uani 1 1 d . . . . .
H22 H 0.1237 0.2080 0.8758 0.081 Uiso 1 1 calc R U . . .
C23 C 0.2931(3) 0.2616(3) 0.78276(18) 0.0535(6) Uani 1 1 d . . . . .
H23 H 0.2498 0.3353 0.7614 0.064 Uiso 1 1 calc R U . . .
C24 C 0.4345(3) 0.2238(2) 0.74836(16) 0.0451(5) Uani 1 1 d . . . . .


_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
S1 O1 1.4381(16) . ?
S1 O2 1.4292(16) . ?
S1 N1 1.6254(17) . ?
S1 C7 1.761(2) . ?
N1 H1 0.8600 . ?
N1 C6 1.425(3) . ?
C1 H1A 0.9300 . ?
C1 C2 1.377(4) . ?
C1 C14 1.374(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(3) . ?
C4 C5 1.478(3) . ?
C4 C15 1.396(3) . ?
C5 C6 1.359(3) . ?
C5 C16 1.474(3) . ?
C6 C24 1.459(3) . ?
C7 C8 1.381(3) . ?
C7 C12 1.391(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.382(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.387(3) . ?
C10 C11 1.511(3) . ?
C10 C13 1.387(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.379(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.379(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(3) . ?
C16 C19 1.470(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.471(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.383(3) . ?
C19 C24 1.428(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.363(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.401(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.392(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.383(3) . ?

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
O1 S1 N1 105.14(9) . . ?
O1 S1 C7 108.02(10) . . ?
O2 S1 O1 119.49(11) . . ?
O2 S1 N1 110.01(9) . . ?
O2 S1 C7 106.95(9) . . ?
N1 S1 C7 106.58(9) . . ?
S1 N1 H1 119.1 . . ?
C6 N1 S1 121.80(13) . . ?
C6 N1 H1 119.1 . . ?
C2 C1 H1A 120.2 . . ?
C14 C1 H1A 120.2 . . ?
C14 C1 C2 119.5(2) . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.6(2) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C5 122.38(19) . . ?
C3 C4 C15 117.9(2) . . ?
C15 C4 C5 119.7(2) . . ?
C6 C5 C4 129.1(2) . . ?
C6 C5 C16 108.24(19) . . ?
C16 C5 C4 122.66(19) . . ?
N1 C6 C24 123.09(19) . . ?
C5 C6 N1 125.96(19) . . ?
C5 C6 C24 110.88(19) . . ?
C8 C7 S1 119.72(16) . . ?
C8 C7 C12 120.39(19) . . ?
C12 C7 S1 119.88(15) . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.4(2) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 119.4 . . ?
C8 C9 C10 121.16(19) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 C11 120.8(2) . . ?
C9 C10 C13 118.6(2) . . ?
C13 C10 C11 120.7(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C7 C12 H12 120.4 . . ?
C13 C12 C7 119.29(19) . . ?
C13 C12 H12 120.4 . . ?
C10 C13 H13 119.4 . . ?
C12 C13 C10 121.1(2) . . ?
C12 C13 H13 119.4 . . ?
C1 C14 H14 120.0 . . ?
C1 C14 C15 120.0(2) . . ?
C15 C14 H14 120.0 . . ?
C4 C15 H15 119.4 . . ?
C14 C15 C4 121.3(2) . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C5 122.5(2) . . ?
C17 C16 C19 131.0(2) . . ?
C19 C16 C5 106.12(19) . . ?
C16 C17 H17 116.2 . . ?
C16 C17 C18 127.7(2) . . ?
C18 C17 H17 116.2 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C16 133.5(2) . . ?
C20 C19 C24 118.5(2) . . ?
C24 C19 C16 107.93(19) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.4(3) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 122.1(2) . . ?
C22 C21 H21 119.0 . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.3(3) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 121.3 . . ?
C24 C23 C22 117.4(3) . . ?
C24 C23 H23 121.3 . . ?
C19 C24 C6 106.58(19) . . ?
C23 C24 C6 131.1(2) . . ?
C23 C24 C19 122.3(2) . . ?

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
S1 N1 C6 C5 -97.5(2) . . . . ?
S1 N1 C6 C24 85.9(2) . . . . ?
S1 C7 C8 C9 -177.46(17) . . . . ?
S1 C7 C12 C13 176.64(17) . . . . ?
O1 S1 N1 C6 159.75(16) . . . . ?
O1 S1 C7 C8 -140.82(18) . . . . ?
O1 S1 C7 C12 39.78(19) . . . . ?
O2 S1 N1 C6 29.87(18) . . . . ?
O2 S1 C7 C8 -11.0(2) . . . . ?
O2 S1 C7 C12 169.59(17) . . . . ?
N1 S1 C7 C8 106.63(18) . . . . ?
N1 S1 C7 C12 -72.77(19) . . . . ?
N1 C6 C24 C19 -179.86(18) . . . . ?
N1 C6 C24 C23 3.7(3) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C1 C14 C15 C4 0.0(4) . . . . ?
C2 C1 C14 C15 -1.1(4) . . . . ?
C2 C3 C4 C5 175.8(2) . . . . ?
C2 C3 C4 C15 -1.5(4) . . . . ?
C3 C4 C5 C6 63.4(3) . . . . ?
C3 C4 C5 C16 -116.5(2) . . . . ?
C3 C4 C15 C14 1.3(4) . . . . ?
C4 C5 C6 N1 -1.9(3) . . . . ?
C4 C5 C6 C24 175.1(2) . . . . ?
C4 C5 C16 C17 11.4(3) . . . . ?
C4 C5 C16 C19 -175.15(18) . . . . ?
C5 C4 C15 C14 -176.1(2) . . . . ?
C5 C6 C24 C19 3.0(2) . . . . ?
C5 C6 C24 C23 -173.4(2) . . . . ?
C5 C16 C17 C18 171.3(2) . . . . ?
C5 C16 C19 C20 174.6(2) . . . . ?
C5 C16 C19 C24 -3.0(2) . . . . ?
C6 C5 C16 C17 -168.6(2) . . . . ?
C6 C5 C16 C19 4.9(2) . . . . ?
C7 S1 N1 C6 -85.73(17) . . . . ?
C7 C8 C9 C10 0.8(4) . . . . ?
C7 C12 C13 C10 0.9(4) . . . . ?
C8 C7 C12 C13 -2.8(3) . . . . ?
C8 C9 C10 C11 178.6(2) . . . . ?
C8 C9 C10 C13 -2.6(4) . . . . ?
C9 C10 C13 C12 1.7(4) . . . . ?
C11 C10 C13 C12 -179.4(2) . . . . ?
C12 C7 C8 C9 1.9(3) . . . . ?
C14 C1 C2 C3 0.9(4) . . . . ?
C15 C4 C5 C6 -119.3(3) . . . . ?
C15 C4 C5 C16 60.8(3) . . . . ?
C16 C5 C6 N1 178.04(18) . . . . ?
C16 C5 C6 C24 -5.0(2) . . . . ?
C16 C19 C20 C21 -176.8(2) . . . . ?
C16 C19 C24 C6 0.2(2) . . . . ?
C16 C19 C24 C23 176.97(19) . . . . ?
C17 C16 C19 C20 -12.6(4) . . . . ?
C17 C16 C19 C24 169.7(2) . . . . ?
C19 C16 C17 C18 -0.4(4) . . . . ?
C19 C20 C21 C22 -0.2(4) . . . . ?
C20 C19 C24 C6 -177.87(19) . . . . ?
C20 C19 C24 C23 -1.1(3) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C22 C23 C24 -0.5(4) . . . . ?
C22 C23 C24 C6 176.9(2) . . . . ?
C22 C23 C24 C19 1.0(3) . . . . ?
C24 C19 C20 C21 0.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
