# 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. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2527373'
loop_
_audit_author_name
_audit_author_address
ga
;zhejiang university of technology
China
;
_audit_update_record             
;
2026-01-31 deposited with the CCDC.	2026-03-23 downloaded from the CCDC.
;
_audit_creation_date             2025-07-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7308)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H14 N2 O3 S'
_chemical_formula_sum            'C21 H14 N2 O3 S'
_chemical_formula_weight         374.40
_chemical_absolute_configuration ad
_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 0.0181 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'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 '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                   9.8111(3)
_cell_length_b                   7.4763(2)
_cell_length_c                   12.2064(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.8020(10)
_cell_angle_gamma                90
_cell_volume                     889.05(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      74.62
_cell_measurement_theta_min      3.65
_shelx_estimated_absorpt_T_max   0.868
_shelx_estimated_absorpt_T_min   0.810
_exptl_absorpt_coefficient_mu    1.828
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.5712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1216 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.7578.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15778
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.602
_diffrn_reflns_theta_min         3.647
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_type              'Incoatec I\ms DIAMOND'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.795
_reflns_Friedel_fraction_full    0.954
_reflns_Friedel_fraction_max     0.929
_reflns_number_gt                3460
_reflns_number_total             3523
_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 V8.41 (Bruker, 2024)'
_computing_data_collection       'APEX6 V2024.9-1 (Bruker, 2025)'
_computing_data_reduction        'SAINT V8.41 (Bruker, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.040
_refine_ls_abs_structure_details 
;
 Flack x determined using 1493 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.061(5)
_refine_ls_extinction_coef       0.0090(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3523
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0278
_refine_ls_restrained_S_all      1.031
_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)+(0.0398P)²+0.1218P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0737
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C14(H14), C15(H15)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C9(H9), C10(H10), C17(H17), C18(H18),
 C19(H19), C20(H20), C21(H21)
;
_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 0.76883(5) 0.25274(9) 0.59335(4) 0.04489(18) Uani 1 1 d . . . . .
O1 O 0.73252(13) 0.4055(2) 0.01433(10) 0.0324(3) Uani 1 1 d . . . . .
O2 O 0.85971(19) 0.1032(3) -0.00102(15) 0.0564(5) Uani 1 1 d . . . . .
O3 O 1.03948(16) 0.1888(3) 0.10401(16) 0.0560(5) Uani 1 1 d . . . . .
N1 N 0.63149(14) 0.2723(2) 0.37026(11) 0.0251(3) Uani 1 1 d . . . . .
N2 N 0.92304(17) 0.2111(3) 0.05927(13) 0.0361(4) Uani 1 1 d . . . . .
C1 C 0.7507(3) 0.2320(4) 0.73016(17) 0.0523(6) Uani 1 1 d . . . . .
H1 H 0.824670 0.238599 0.787736 0.063 Uiso 1 1 calc R U . . .
C2 C 0.6185(3) 0.2051(3) 0.74677(18) 0.0493(6) Uani 1 1 d . . . . .
H2 H 0.589199 0.191108 0.817712 0.059 Uiso 1 1 calc R U . . .
C3 C 0.5288(2) 0.2001(3) 0.64791(17) 0.0400(5) Uani 1 1 d . . . . .
H3 H 0.432597 0.182016 0.644855 0.048 Uiso 1 1 calc R U . . .
C4 C 0.59571(19) 0.2242(3) 0.55632(15) 0.0317(4) Uani 1 1 d . . . . .
C5 C 0.54180(18) 0.2320(3) 0.43984(14) 0.0286(4) Uani 1 1 d . . . . .
C6 C 0.4013(2) 0.1979(3) 0.40450(17) 0.0379(5) Uani 1 1 d . . . . .
H6 H 0.340944 0.166088 0.456689 0.045 Uiso 1 1 calc R U . . .
C7 C 0.35329(19) 0.2109(3) 0.29570(18) 0.0383(5) Uani 1 1 d . . . . .
H7 H 0.259258 0.188151 0.271562 0.046 Uiso 1 1 calc R U . . .
C8 C 0.44386(17) 0.2586(3) 0.21849(15) 0.0301(4) Uani 1 1 d . . . . .
C9 C 0.40139(19) 0.2836(3) 0.10439(16) 0.0361(4) Uani 1 1 d . . . . .
H9 H 0.307607 0.265890 0.077068 0.043 Uiso 1 1 calc R U . . .
C10 C 0.4919(2) 0.3325(3) 0.03241(16) 0.0345(4) Uani 1 1 d . . . . .
H10 H 0.462935 0.350682 -0.043822 0.041 Uiso 1 1 calc R U . . .
C11 C 0.62868(19) 0.3543(2) 0.07657(14) 0.0274(4) Uani 1 1 d . . . . .
C12 C 0.67521(17) 0.3350(2) 0.18588(14) 0.0234(3) Uani 1 1 d . . . . .
C13 C 0.58338(17) 0.2868(2) 0.26125(14) 0.0242(3) Uani 1 1 d . . . . .
C14 C 0.85576(19) 0.3905(3) 0.08403(15) 0.0291(4) Uani 1 1 d . . . . .
H14 H 0.918245 0.492232 0.071496 0.035 Uiso 1 1 calc R U . . .
C15 C 0.82430(17) 0.3889(2) 0.20504(14) 0.0238(3) Uani 1 1 d . . . . .
H15 H 0.880272 0.296195 0.248955 0.029 Uiso 1 1 calc R U . . .
C16 C 0.84013(17) 0.5702(2) 0.26080(15) 0.0252(4) Uani 1 1 d . . . . .
C17 C 0.88039(19) 0.5805(3) 0.37324(16) 0.0305(4) Uani 1 1 d . . . . .
H17 H 0.905764 0.474983 0.413970 0.037 Uiso 1 1 calc R U . . .
C18 C 0.88379(19) 0.7453(4) 0.42681(17) 0.0417(5) Uani 1 1 d . . . . .
H18 H 0.912324 0.751703 0.503840 0.050 Uiso 1 1 calc R U . . .
C19 C 0.8461(2) 0.8988(3) 0.3688(2) 0.0488(6) Uani 1 1 d . . . . .
H19 H 0.847060 1.010684 0.405820 0.059 Uiso 1 1 calc R U . . .
C20 C 0.8069(3) 0.8892(3) 0.2568(2) 0.0487(6) Uani 1 1 d . . . . .
H20 H 0.781718 0.995154 0.216447 0.058 Uiso 1 1 calc R U . . .
C21 C 0.8038(2) 0.7263(3) 0.20263(17) 0.0372(4) Uani 1 1 d . . . . .
H21 H 0.776859 0.721110 0.125340 0.045 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
S1 C1 1.707(2) . ?
S1 C4 1.718(2) . ?
O1 C11 1.395(2) . ?
O1 C14 1.398(2) . ?
O2 N2 1.213(2) . ?
O3 N2 1.218(2) . ?
N1 C5 1.328(2) . ?
N1 C13 1.362(2) . ?
N2 C14 1.541(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.351(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.407(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.374(3) . ?
C4 C5 1.458(3) . ?
C5 C6 1.418(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.359(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.415(3) . ?
C8 C9 1.418(3) . ?
C8 C13 1.422(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.395(3) . ?
C11 C12 1.366(2) . ?
C12 C13 1.409(2) . ?
C12 C15 1.509(2) . ?
C14 H14 1.0000 . ?
C14 C15 1.544(2) . ?
C15 H15 1.0000 . ?
C15 C16 1.516(3) . ?
C16 C17 1.385(3) . ?
C16 C21 1.390(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.393(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.376(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.385(3) . ?
C21 H21 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
C1 S1 C4 91.82(11) . . ?
C11 O1 C14 106.35(13) . . ?
C5 N1 C13 117.61(14) . . ?
O2 N2 O3 124.54(19) . . ?
O2 N2 C14 119.85(16) . . ?
O3 N2 C14 115.61(17) . . ?
S1 C1 H1 124.0 . . ?
C2 C1 S1 111.93(18) . . ?
C2 C1 H1 124.0 . . ?
C1 C2 H2 123.6 . . ?
C1 C2 C3 112.90(19) . . ?
C3 C2 H2 123.6 . . ?
C2 C3 H3 123.7 . . ?
C4 C3 C2 112.6(2) . . ?
C4 C3 H3 123.7 . . ?
C3 C4 S1 110.78(16) . . ?
C3 C4 C5 130.22(18) . . ?
C5 C4 S1 118.99(13) . . ?
N1 C5 C4 116.18(15) . . ?
N1 C5 C6 122.70(16) . . ?
C6 C5 C4 121.12(16) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 C5 119.76(17) . . ?
C7 C6 H6 120.1 . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.77(17) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 C9 123.54(16) . . ?
C7 C8 C13 116.49(16) . . ?
C9 C8 C13 119.95(16) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.82(17) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 H10 121.6 . . ?
C9 C10 C11 116.75(17) . . ?
C11 C10 H10 121.6 . . ?
O1 C11 C10 123.56(16) . . ?
C12 C11 O1 112.33(15) . . ?
C12 C11 C10 124.06(17) . . ?
C11 C12 C13 119.97(15) . . ?
C11 C12 C15 109.21(15) . . ?
C13 C12 C15 130.58(15) . . ?
N1 C13 C8 123.63(15) . . ?
N1 C13 C12 118.93(15) . . ?
C12 C13 C8 117.43(15) . . ?
O1 C14 N2 108.08(15) . . ?
O1 C14 H14 110.3 . . ?
O1 C14 C15 109.04(14) . . ?
N2 C14 H14 110.3 . . ?
N2 C14 C15 108.65(14) . . ?
C15 C14 H14 110.3 . . ?
C12 C15 C14 98.84(13) . . ?
C12 C15 H15 111.0 . . ?
C12 C15 C16 110.75(14) . . ?
C14 C15 H15 111.0 . . ?
C16 C15 C14 113.65(15) . . ?
C16 C15 H15 111.0 . . ?
C17 C16 C15 119.80(16) . . ?
C17 C16 C21 119.02(18) . . ?
C21 C16 C15 120.97(16) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.18(19) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.41(19) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.5(2) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.31(19) . . ?
C20 C21 H21 119.8 . . ?

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 C1 C2 C3 0.2(3) . . . . ?
S1 C4 C5 N1 -4.1(2) . . . . ?
S1 C4 C5 C6 175.90(16) . . . . ?
O1 C11 C12 C13 178.90(15) . . . . ?
O1 C11 C12 C15 4.0(2) . . . . ?
O1 C14 C15 C12 20.34(19) . . . . ?
O1 C14 C15 C16 -97.02(18) . . . . ?
O2 N2 C14 O1 -9.0(2) . . . . ?
O2 N2 C14 C15 109.2(2) . . . . ?
O3 N2 C14 O1 171.30(17) . . . . ?
O3 N2 C14 C15 -70.5(2) . . . . ?
N1 C5 C6 C7 -1.8(3) . . . . ?
N2 C14 C15 C12 -97.23(16) . . . . ?
N2 C14 C15 C16 145.41(15) . . . . ?
C1 S1 C4 C3 0.08(19) . . . . ?
C1 S1 C4 C5 178.88(18) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C2 C3 C4 S1 0.0(2) . . . . ?
C2 C3 C4 C5 -178.6(2) . . . . ?
C3 C4 C5 N1 174.5(2) . . . . ?
C3 C4 C5 C6 -5.6(3) . . . . ?
C4 S1 C1 C2 -0.2(2) . . . . ?
C4 C5 C6 C7 178.2(2) . . . . ?
C5 N1 C13 C8 -1.0(3) . . . . ?
C5 N1 C13 C12 177.99(16) . . . . ?
C5 C6 C7 C8 -0.1(3) . . . . ?
C6 C7 C8 C9 -176.9(2) . . . . ?
C6 C7 C8 C13 1.2(3) . . . . ?
C7 C8 C9 C10 178.9(2) . . . . ?
C7 C8 C13 N1 -0.8(3) . . . . ?
C7 C8 C13 C12 -179.74(18) . . . . ?
C8 C9 C10 C11 0.8(3) . . . . ?
C9 C8 C13 N1 177.42(17) . . . . ?
C9 C8 C13 C12 -1.5(3) . . . . ?
C9 C10 C11 O1 -179.31(17) . . . . ?
C9 C10 C11 C12 -2.0(3) . . . . ?
C10 C11 C12 C13 1.3(3) . . . . ?
C10 C11 C12 C15 -173.58(18) . . . . ?
C11 O1 C14 N2 98.72(15) . . . . ?
C11 O1 C14 C15 -19.2(2) . . . . ?
C11 C12 C13 N1 -178.50(16) . . . . ?
C11 C12 C13 C8 0.5(2) . . . . ?
C11 C12 C15 C14 -14.31(18) . . . . ?
C11 C12 C15 C16 105.24(17) . . . . ?
C12 C15 C16 C17 100.66(18) . . . . ?
C12 C15 C16 C21 -73.9(2) . . . . ?
C13 N1 C5 C4 -177.75(16) . . . . ?
C13 N1 C5 C6 2.3(3) . . . . ?
C13 C8 C9 C10 0.9(3) . . . . ?
C13 C12 C15 C14 171.53(18) . . . . ?
C13 C12 C15 C16 -68.9(2) . . . . ?
C14 O1 C11 C10 -172.66(18) . . . . ?
C14 O1 C11 C12 9.7(2) . . . . ?
C14 C15 C16 C17 -149.14(17) . . . . ?
C14 C15 C16 C21 36.3(2) . . . . ?
C15 C12 C13 N1 -4.9(3) . . . . ?
C15 C12 C13 C8 174.15(18) . . . . ?
C15 C16 C17 C18 -174.46(16) . . . . ?
C15 C16 C21 C20 174.0(2) . . . . ?
C16 C17 C18 C19 0.6(3) . . . . ?
C17 C16 C21 C20 -0.6(3) . . . . ?
C17 C18 C19 C20 -1.0(3) . . . . ?
C18 C19 C20 C21 0.7(4) . . . . ?
C19 C20 C21 C16 0.1(3) . . . . ?
C21 C16 C17 C18 0.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
