# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_t1
_database_code_depnum_ccdc_archive 'CCDC 2473764'
loop_
_audit_author_name
_audit_author_address
SWHJXM
;Ningbo University
China
;
_audit_update_record             
;
2025-07-18 deposited with the CCDC.	2025-09-23 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     2018/3
_chemical_name_common            Benzo[h]isoquinolin-3-ones
_chemical_name_systematic        
'ethyl 2-cyclohexyl-3-oxo-2,3-dihydrobenzo[h]isoquinoline-4-carboxylate'
_chemical_formula_moiety         'C22 H23 N O3'
_chemical_formula_sum            'C22 H23 N O3'
_chemical_formula_weight         349.41
_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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   11.7981(12)
_cell_length_b                   12.8375(14)
_cell_length_c                   12.4903(13)
_cell_angle_alpha                90
_cell_angle_beta                 104.568(5)
_cell_angle_gamma                90
_cell_volume                     1830.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9051
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      68.28
_cell_measurement_theta_min      3.87
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6360
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1228 before and 0.0681 after correction.
The Ratio of minimum to maximum transmission is 0.8445.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.013
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.012
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29650
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.281
_diffrn_reflns_theta_min         3.871
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2886
_reflns_number_total             3347
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.197
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      1.064
_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)+(0.0460P)²+0.4144P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0956
_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.a Ternary CH refined with riding coordinates:
 C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C11(H11A,H11B), C2(H2A,H2B), C9(H9A,H9B), C10(H10A,
 H10B)
2.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C19(H19), C22(H22), C15(H15), C20(H20), C21(H21), C16(H16)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_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
O3 O 0.61204(8) 0.69997(7) 0.53652(7) 0.0299(2) Uani 1 1 d . . . . .
O1 O 0.69034(8) 0.42206(7) 0.50593(7) 0.0300(2) Uani 1 1 d . . . . .
O2 O 0.76494(9) 0.52666(7) 0.65067(7) 0.0335(2) Uani 1 1 d . . . . .
N1 N 0.68068(8) 0.76034(8) 0.39130(8) 0.0216(2) Uani 1 1 d . . . . .
C14 C 0.80810(10) 0.57840(9) 0.39198(9) 0.0211(2) Uani 1 1 d . . . . .
C13 C 0.81113(10) 0.65949(9) 0.31370(9) 0.0206(2) Uani 1 1 d . . . . .
C12 C 0.74453(10) 0.74677(9) 0.31649(9) 0.0214(2) Uani 1 1 d . . . . .
H12 H 0.743331 0.800009 0.263385 0.026 Uiso 1 1 calc R U . . .
C18 C 0.88196(10) 0.64758(9) 0.23352(9) 0.0209(2) Uani 1 1 d . . . . .
C5 C 0.67340(10) 0.68442(9) 0.47161(9) 0.0227(3) Uani 1 1 d . . . . .
C19 C 0.89258(10) 0.72561(9) 0.15808(10) 0.0223(2) Uani 1 1 d . . . . .
H19 H 0.851932 0.789583 0.157420 0.027 Uiso 1 1 calc R U . . .
C4 C 0.74068(10) 0.59221(9) 0.46747(10) 0.0227(3) Uani 1 1 d . . . . .
C22 C 1.01369(11) 0.54036(10) 0.15756(10) 0.0266(3) Uani 1 1 d . . . . .
H22 H 1.055026 0.476896 0.157297 0.032 Uiso 1 1 calc R U . . .
C17 C 0.94415(10) 0.55371(9) 0.23316(10) 0.0234(3) Uani 1 1 d . . . . .
C15 C 0.87587(10) 0.48516(9) 0.38835(10) 0.0245(3) Uani 1 1 d . . . . .
H15 H 0.876407 0.431019 0.440320 0.029 Uiso 1 1 calc R U . . .
C20 C 0.96145(11) 0.71071(10) 0.08459(10) 0.0259(3) Uani 1 1 d . . . . .
H20 H 0.967197 0.764341 0.033807 0.031 Uiso 1 1 calc R U . . .
C3 C 0.73440(10) 0.51192(9) 0.55242(10) 0.0236(3) Uani 1 1 d . . . . .
C6 C 0.60829(10) 0.85600(9) 0.38663(10) 0.0232(3) Uani 1 1 d . . . . .
H6 H 0.575867 0.855752 0.453297 0.028 Uiso 1 1 calc R U . . .
C21 C 1.02259(11) 0.61763(10) 0.08434(10) 0.0277(3) Uani 1 1 d . . . . .
H21 H 1.069954 0.607911 0.033868 0.033 Uiso 1 1 calc R U . . .
C16 C 0.93813(11) 0.47401(9) 0.31246(11) 0.0262(3) Uani 1 1 d . . . . .
H16 H 0.979840 0.410910 0.311193 0.031 Uiso 1 1 calc R U . . .
C7 C 0.50508(11) 0.85268(10) 0.28506(11) 0.0279(3) Uani 1 1 d . . . . .
H7A H 0.459122 0.788363 0.286265 0.034 Uiso 1 1 calc R U . . .
H7B H 0.534078 0.851827 0.217260 0.034 Uiso 1 1 calc R U . . .
C8 C 0.42717(12) 0.94790(11) 0.28386(12) 0.0341(3) Uani 1 1 d . . . . .
H8A H 0.361913 0.946727 0.216193 0.041 Uiso 1 1 calc R U . . .
H8B H 0.393208 0.945463 0.348676 0.041 Uiso 1 1 calc R U . . .
C11 C 0.68084(11) 0.95489(10) 0.39117(11) 0.0289(3) Uani 1 1 d . . . . .
H11A H 0.717745 0.955922 0.328224 0.035 Uiso 1 1 calc R U . . .
H11B H 0.743842 0.956103 0.460575 0.035 Uiso 1 1 calc R U . . .
C2 C 0.68244(13) 0.33577(10) 0.57968(12) 0.0344(3) Uani 1 1 d . . . . .
H2A H 0.613804 0.291990 0.545500 0.041 Uiso 1 1 calc R U . . .
H2B H 0.671279 0.363457 0.650302 0.041 Uiso 1 1 calc R U . . .
C9 C 0.49663(13) 1.04794(11) 0.28691(13) 0.0388(3) Uani 1 1 d . . . . .
H9A H 0.445382 1.108231 0.290447 0.047 Uiso 1 1 calc R U . . .
H9B H 0.523150 1.053928 0.217995 0.047 Uiso 1 1 calc R U . . .
C10 C 0.60256(13) 1.05084(11) 0.38596(12) 0.0357(3) Uani 1 1 d . . . . .
H10A H 0.575484 1.054899 0.454709 0.043 Uiso 1 1 calc R U . . .
H10B H 0.648946 1.114270 0.381675 0.043 Uiso 1 1 calc R U . . .
C1 C 0.79111(14) 0.27087(12) 0.60199(15) 0.0464(4) Uani 1 1 d . . . . .
H1A H 0.805655 0.248252 0.531698 0.070 Uiso 1 1 calc R U . . .
H1B H 0.781166 0.209675 0.645642 0.070 Uiso 1 1 calc R U . . .
H1C H 0.857728 0.312152 0.643249 0.070 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
O3 C5 1.2315(14) . ?
O1 C3 1.3365(15) . ?
O1 C2 1.4586(15) . ?
O2 C3 1.2038(15) . ?
N1 C12 1.3510(15) . ?
N1 C5 1.4166(15) . ?
N1 C6 1.4886(14) . ?
C14 C13 1.4348(16) . ?
C14 C4 1.3895(16) . ?
C14 C15 1.4464(16) . ?
C13 C12 1.3739(17) . ?
C13 C18 1.4648(16) . ?
C12 H12 0.9500 . ?
C18 C19 1.4023(17) . ?
C18 C17 1.4114(16) . ?
C5 C4 1.4334(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.3837(16) . ?
C4 C3 1.4944(16) . ?
C22 H22 0.9500 . ?
C22 C17 1.4085(17) . ?
C22 C21 1.3709(18) . ?
C17 C16 1.4382(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3449(18) . ?
C20 H20 0.9500 . ?
C20 C21 1.3962(18) . ?
C6 H6 1.0000 . ?
C6 C7 1.5221(17) . ?
C6 C11 1.5242(17) . ?
C21 H21 0.9500 . ?
C16 H16 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.5272(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.519(2) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C10 1.5311(18) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C1 1.495(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.522(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?

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
C3 O1 C2 117.43(10) . . ?
C12 N1 C5 123.01(10) . . ?
C12 N1 C6 119.57(9) . . ?
C5 N1 C6 117.32(9) . . ?
C13 C14 C15 118.06(10) . . ?
C4 C14 C13 119.11(10) . . ?
C4 C14 C15 122.83(11) . . ?
C14 C13 C18 120.42(10) . . ?
C12 C13 C14 117.52(10) . . ?
C12 C13 C18 122.06(10) . . ?
N1 C12 C13 123.00(10) . . ?
N1 C12 H12 118.5 . . ?
C13 C12 H12 118.5 . . ?
C19 C18 C13 123.20(10) . . ?
C19 C18 C17 118.26(10) . . ?
C17 C18 C13 118.54(10) . . ?
O3 C5 N1 120.34(11) . . ?
O3 C5 C4 125.46(11) . . ?
N1 C5 C4 114.20(10) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 120.91(11) . . ?
C20 C19 H19 119.5 . . ?
C14 C4 C5 123.13(10) . . ?
C14 C4 C3 122.20(10) . . ?
C5 C4 C3 114.66(10) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C17 120.96(11) . . ?
C18 C17 C16 119.30(11) . . ?
C22 C17 C18 119.79(11) . . ?
C22 C17 C16 120.88(11) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 120.96(11) . . ?
C16 C15 H15 119.5 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.64(11) . . ?
C21 C20 H20 119.7 . . ?
O1 C3 C4 111.73(10) . . ?
O2 C3 O1 124.23(11) . . ?
O2 C3 C4 124.04(11) . . ?
N1 C6 H6 107.5 . . ?
N1 C6 C7 109.90(10) . . ?
N1 C6 C11 111.99(9) . . ?
C7 C6 H6 107.5 . . ?
C7 C6 C11 112.23(10) . . ?
C11 C6 H6 107.5 . . ?
C22 C21 C20 119.44(11) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C17 C16 H16 118.7 . . ?
C15 C16 C17 122.68(11) . . ?
C15 C16 H16 118.7 . . ?
C6 C7 H7A 109.7 . . ?
C6 C7 H7B 109.7 . . ?
C6 C7 C8 109.82(11) . . ?
H7A C7 H7B 108.2 . . ?
C8 C7 H7A 109.7 . . ?
C8 C7 H7B 109.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 C7 110.91(11) . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C6 C11 H11A 109.7 . . ?
C6 C11 H11B 109.7 . . ?
C6 C11 C10 109.96(10) . . ?
H11A C11 H11B 108.2 . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
O1 C2 H2A 109.5 . . ?
O1 C2 H2B 109.5 . . ?
O1 C2 C1 110.66(11) . . ?
H2A C2 H2B 108.1 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
C8 C9 C10 111.63(11) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C11 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
C9 C10 C11 112.21(11) . . ?
C9 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 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
O3 C5 C4 C14 179.64(12) . . . . ?
O3 C5 C4 C3 -1.30(18) . . . . ?
N1 C5 C4 C14 0.48(16) . . . . ?
N1 C5 C4 C3 179.54(10) . . . . ?
N1 C6 C7 C8 176.85(9) . . . . ?
N1 C6 C11 C10 179.92(10) . . . . ?
C14 C13 C12 N1 2.31(17) . . . . ?
C14 C13 C18 C19 -177.20(11) . . . . ?
C14 C13 C18 C17 1.75(16) . . . . ?
C14 C4 C3 O1 -61.45(15) . . . . ?
C14 C4 C3 O2 118.81(14) . . . . ?
C14 C15 C16 C17 1.75(19) . . . . ?
C13 C14 C4 C5 -0.19(17) . . . . ?
C13 C14 C4 C3 -179.17(10) . . . . ?
C13 C14 C15 C16 -1.23(17) . . . . ?
C13 C18 C19 C20 179.47(11) . . . . ?
C13 C18 C17 C22 -179.52(11) . . . . ?
C13 C18 C17 C16 -1.29(16) . . . . ?
C12 N1 C5 O3 -178.59(11) . . . . ?
C12 N1 C5 C4 0.62(16) . . . . ?
C12 N1 C6 C7 70.00(13) . . . . ?
C12 N1 C6 C11 -55.46(14) . . . . ?
C12 C13 C18 C19 3.60(18) . . . . ?
C12 C13 C18 C17 -177.45(11) . . . . ?
C18 C13 C12 N1 -178.47(11) . . . . ?
C18 C19 C20 C21 -0.36(18) . . . . ?
C18 C17 C16 C15 -0.45(19) . . . . ?
C5 N1 C12 C13 -2.10(18) . . . . ?
C5 N1 C6 C7 -106.43(11) . . . . ?
C5 N1 C6 C11 128.10(11) . . . . ?
C5 C4 C3 O1 119.49(11) . . . . ?
C5 C4 C3 O2 -60.25(16) . . . . ?
C19 C18 C17 C22 -0.51(17) . . . . ?
C19 C18 C17 C16 177.72(11) . . . . ?
C19 C20 C21 C22 0.21(19) . . . . ?
C4 C14 C13 C12 -1.16(16) . . . . ?
C4 C14 C13 C18 179.60(10) . . . . ?
C4 C14 C15 C16 178.64(12) . . . . ?
C22 C17 C16 C15 177.76(12) . . . . ?
C17 C18 C19 C20 0.51(17) . . . . ?
C17 C22 C21 C20 -0.22(19) . . . . ?
C15 C14 C13 C12 178.71(10) . . . . ?
C15 C14 C13 C18 -0.53(16) . . . . ?
C15 C14 C4 C5 179.94(11) . . . . ?
C15 C14 C4 C3 0.96(18) . . . . ?
C3 O1 C2 C1 -91.09(14) . . . . ?
C6 N1 C12 C13 -178.32(10) . . . . ?
C6 N1 C5 O3 -2.28(16) . . . . ?
C6 N1 C5 C4 176.92(10) . . . . ?
C6 C7 C8 C9 56.96(14) . . . . ?
C6 C11 C10 C9 -53.44(15) . . . . ?
C21 C22 C17 C18 0.38(18) . . . . ?
C21 C22 C17 C16 -177.83(12) . . . . ?
C7 C6 C11 C10 55.75(13) . . . . ?
C7 C8 C9 C10 -55.72(15) . . . . ?
C8 C9 C10 C11 54.26(15) . . . . ?
C11 C6 C7 C8 -57.83(13) . . . . ?
C2 O1 C3 O2 -1.97(17) . . . . ?
C2 O1 C3 C4 178.30(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
