# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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 
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data_mo_lcm_lkz_2138_200k_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2294904'
loop_
_audit_author_name
_audit_author_address
lkzaaa
;West China Hospital of Sichuan University
China
;
_audit_update_record             
;
2023-09-14 deposited with the CCDC.	2023-09-27 downloaded from the CCDC.
;
_audit_creation_date             2023-09-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H18 Cu N4 O2'
_chemical_formula_sum            'C24 H18 Cu N4 O2'
_chemical_formula_weight         457.96
_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'
Cu Cu 0.3201 1.2651 '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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.225(2)
_cell_length_b                   18.985(4)
_cell_length_c                   10.7936(18)
_cell_angle_alpha                90
_cell_angle_beta                 104.967(6)
_cell_angle_gamma                90
_cell_volume                     2024.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9475
_cell_measurement_temperature    286(2)
_cell_measurement_theta_max      27.527
_cell_measurement_theta_min      2.324
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.761
_exptl_absorpt_coefficient_mu    1.109
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1184 before and 0.0656 after correction.
The Ratio of minimum to maximum transmission is 0.8428.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic blackish black'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            44281
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.603
_diffrn_reflns_theta_min         2.145
_diffrn_ambient_temperature      286.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_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                4038
_reflns_number_total             4675
_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         0.389
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4675
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0379P)²+0.9424P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0817
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24)
;
_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
Cu1 Cu 0.56191(2) 0.65589(2) 0.29261(2) 0.02867(8) Uani 1 1 d . . . . .
O1 O 0.61460(15) 0.85192(6) 0.43766(14) 0.0412(3) Uani 1 1 d . . . . .
O2 O 0.48297(16) 0.45548(7) 0.18134(15) 0.0447(3) Uani 1 1 d . . . . .
N1 N 0.39918(15) 0.71677(7) 0.27527(14) 0.0292(3) Uani 1 1 d . . . . .
N2 N 0.65638(15) 0.73817(7) 0.37750(14) 0.0307(3) Uani 1 1 d . . . . .
N3 N 0.47637(15) 0.56468(7) 0.27667(15) 0.0320(3) Uani 1 1 d . . . . .
N4 N 0.69652(15) 0.60513(7) 0.21699(14) 0.0295(3) Uani 1 1 d . . . . .
C1 C 0.27020(19) 0.70272(10) 0.21473(18) 0.0346(4) Uani 1 1 d . . . . .
H1 H 0.2481 0.6584 0.1789 0.042 Uiso 1 1 calc R U . . .
C2 C 0.1689(2) 0.75250(11) 0.2040(2) 0.0390(4) Uani 1 1 d . . . . .
H2 H 0.0798 0.7416 0.1617 0.047 Uiso 1 1 calc R U . . .
C3 C 0.2015(2) 0.81844(11) 0.25694(19) 0.0392(4) Uani 1 1 d . . . . .
H3 H 0.1350 0.8526 0.2510 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3349(2) 0.83279(10) 0.31885(18) 0.0361(4) Uani 1 1 d . . . . .
H4 H 0.3592 0.8767 0.3558 0.043 Uiso 1 1 calc R U . . .
C5 C 0.43160(19) 0.78125(9) 0.32537(16) 0.0304(4) Uani 1 1 d . . . . .
C6 C 0.57954(19) 0.79432(9) 0.38600(17) 0.0310(4) Uani 1 1 d . . . . .
C7 C 0.79802(18) 0.74047(9) 0.43134(16) 0.0295(3) Uani 1 1 d . . . . .
C8 C 0.86128(19) 0.68172(9) 0.49719(17) 0.0321(4) Uani 1 1 d . . . . .
H8 H 0.8096 0.6430 0.5079 0.039 Uiso 1 1 calc R U . . .
C9 C 1.0005(2) 0.68020(11) 0.5471(2) 0.0395(4) Uani 1 1 d . . . . .
H9 H 1.0417 0.6404 0.5904 0.047 Uiso 1 1 calc R U . . .
C10 C 1.0784(2) 0.73794(12) 0.5325(2) 0.0443(5) Uani 1 1 d . . . . .
H10 H 1.1718 0.7371 0.5662 0.053 Uiso 1 1 calc R U . . .
C11 C 1.0160(2) 0.79665(11) 0.4678(2) 0.0422(5) Uani 1 1 d . . . . .
H11 H 1.0678 0.8357 0.4591 0.051 Uiso 1 1 calc R U . . .
C12 C 0.8778(2) 0.79802(10) 0.41586(18) 0.0355(4) Uani 1 1 d . . . . .
H12 H 0.8375 0.8374 0.3704 0.043 Uiso 1 1 calc R U . . .
C13 C 0.52450(19) 0.51591(9) 0.20982(17) 0.0326(4) Uani 1 1 d . . . . .
C14 C 0.65062(18) 0.54059(9) 0.17512(16) 0.0298(4) Uani 1 1 d . . . . .
C15 C 0.81194(19) 0.62798(10) 0.19485(18) 0.0338(4) Uani 1 1 d . . . . .
H15 H 0.8426 0.6729 0.2224 0.041 Uiso 1 1 calc R U . . .
C16 C 0.8876(2) 0.58730(11) 0.13238(19) 0.0386(4) Uani 1 1 d . . . . .
H16 H 0.9683 0.6042 0.1192 0.046 Uiso 1 1 calc R U . . .
C17 C 0.8406(2) 0.52123(10) 0.0903(2) 0.0418(5) Uani 1 1 d . . . . .
H17 H 0.8898 0.4926 0.0488 0.050 Uiso 1 1 calc R U . . .
C18 C 0.7197(2) 0.49793(10) 0.11013(19) 0.0382(4) Uani 1 1 d . . . . .
H18 H 0.6852 0.4540 0.0801 0.046 Uiso 1 1 calc R U . . .
C19 C 0.37476(18) 0.54836(9) 0.33951(18) 0.0318(4) Uani 1 1 d . . . . .
C20 C 0.3891(2) 0.57527(10) 0.46207(19) 0.0381(4) Uani 1 1 d . . . . .
H20 H 0.4646 0.6024 0.4998 0.046 Uiso 1 1 calc R U . . .
C21 C 0.2931(2) 0.56251(12) 0.5287(2) 0.0466(5) Uani 1 1 d . . . . .
H21 H 0.3036 0.5815 0.6101 0.056 Uiso 1 1 calc R U . . .
C22 C 0.1818(2) 0.52156(12) 0.4746(3) 0.0518(6) Uani 1 1 d . . . . .
H22 H 0.1180 0.5119 0.5200 0.062 Uiso 1 1 calc R U . . .
C23 C 0.1657(2) 0.49492(12) 0.3527(2) 0.0494(5) Uani 1 1 d . . . . .
H23 H 0.0899 0.4678 0.3158 0.059 Uiso 1 1 calc R U . . .
C24 C 0.2608(2) 0.50804(10) 0.2845(2) 0.0402(4) Uani 1 1 d . . . . .
H24 H 0.2486 0.4900 0.2022 0.048 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
Cu1 N1 1.9947(15) . ?
Cu1 N2 1.9380(15) . ?
Cu1 N3 1.9275(15) . ?
Cu1 N4 2.0172(15) . ?
O1 C6 1.238(2) . ?
O2 C13 1.234(2) . ?
N1 C1 1.339(2) . ?
N1 C5 1.345(2) . ?
N2 C6 1.341(2) . ?
N2 C7 1.415(2) . ?
N3 C13 1.343(2) . ?
N3 C19 1.414(2) . ?
N4 C14 1.348(2) . ?
N4 C15 1.336(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.385(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.382(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.380(2) . ?
C5 C6 1.505(3) . ?
C7 C8 1.389(2) . ?
C7 C12 1.399(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.386(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.388(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.507(3) . ?
C14 C18 1.379(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.385(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.390(3) . ?
C19 C24 1.393(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.380(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.377(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.386(3) . ?
C24 H24 0.9300 . ?

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
N1 Cu1 N4 151.48(6) . . ?
N2 Cu1 N1 83.06(6) . . ?
N2 Cu1 N4 105.52(6) . . ?
N3 Cu1 N1 99.43(6) . . ?
N3 Cu1 N2 157.76(7) . . ?
N3 Cu1 N4 82.88(6) . . ?
C1 N1 Cu1 128.54(12) . . ?
C1 N1 C5 119.15(15) . . ?
C5 N1 Cu1 112.13(12) . . ?
C6 N2 Cu1 116.34(12) . . ?
C6 N2 C7 120.19(15) . . ?
C7 N2 Cu1 123.46(11) . . ?
C13 N3 Cu1 116.52(12) . . ?
C13 N3 C19 121.55(15) . . ?
C19 N3 Cu1 121.78(12) . . ?
C14 N4 Cu1 110.80(12) . . ?
C15 N4 Cu1 130.09(12) . . ?
C15 N4 C14 118.86(16) . . ?
N1 C1 H1 119.1 . . ?
N1 C1 C2 121.75(18) . . ?
C2 C1 H1 119.1 . . ?
C1 C2 H2 120.4 . . ?
C3 C2 C1 119.23(19) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 H3 120.6 . . ?
C2 C3 C4 118.81(18) . . ?
C4 C3 H3 120.6 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.32(18) . . ?
C5 C4 H4 120.3 . . ?
N1 C5 C4 121.72(18) . . ?
N1 C5 C6 116.14(15) . . ?
C4 C5 C6 122.12(16) . . ?
O1 C6 N2 128.77(18) . . ?
O1 C6 C5 118.89(16) . . ?
N2 C6 C5 112.32(15) . . ?
C8 C7 N2 118.51(15) . . ?
C8 C7 C12 118.62(17) . . ?
C12 C7 N2 122.80(16) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.75(18) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.10(19) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.4(2) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.75(18) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.31(18) . . ?
C11 C12 H12 119.8 . . ?
O2 C13 N3 128.64(18) . . ?
O2 C13 C14 119.24(17) . . ?
N3 C13 C14 112.02(15) . . ?
N4 C14 C13 116.45(15) . . ?
N4 C14 C18 121.65(17) . . ?
C18 C14 C13 121.80(16) . . ?
N4 C15 H15 118.8 . . ?
N4 C15 C16 122.44(17) . . ?
C16 C15 H15 118.8 . . ?
C15 C16 H16 120.8 . . ?
C17 C16 C15 118.47(19) . . ?
C17 C16 H16 120.8 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.38(18) . . ?
C18 C17 H17 120.3 . . ?
C14 C18 C17 119.16(18) . . ?
C14 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C20 C19 N3 117.79(16) . . ?
C20 C19 C24 118.61(18) . . ?
C24 C19 N3 123.59(18) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.18(19) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.9(2) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(2) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.9(2) . . ?
C24 C23 H23 119.6 . . ?
C19 C24 H24 120.1 . . ?
C23 C24 C19 119.8(2) . . ?
C23 C24 H24 120.1 . . ?

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
Cu1 N1 C1 C2 -175.78(14) . . . . ?
Cu1 N1 C5 C4 177.25(14) . . . . ?
Cu1 N1 C5 C6 -1.38(19) . . . . ?
Cu1 N2 C6 O1 178.14(16) . . . . ?
Cu1 N2 C6 C5 -0.27(19) . . . . ?
Cu1 N2 C7 C8 -40.3(2) . . . . ?
Cu1 N2 C7 C12 136.55(15) . . . . ?
Cu1 N3 C13 O2 -176.21(16) . . . . ?
Cu1 N3 C13 C14 7.7(2) . . . . ?
Cu1 N3 C19 C20 -37.8(2) . . . . ?
Cu1 N3 C19 C24 141.08(15) . . . . ?
Cu1 N4 C14 C13 -8.82(18) . . . . ?
Cu1 N4 C14 C18 174.65(14) . . . . ?
Cu1 N4 C15 C16 -174.77(14) . . . . ?
O2 C13 C14 N4 -175.26(17) . . . . ?
O2 C13 C14 C18 1.3(3) . . . . ?
N1 C1 C2 C3 0.1(3) . . . . ?
N1 C5 C6 O1 -177.46(16) . . . . ?
N1 C5 C6 N2 1.1(2) . . . . ?
N2 C7 C8 C9 177.29(17) . . . . ?
N2 C7 C12 C11 -178.34(17) . . . . ?
N3 C13 C14 N4 1.3(2) . . . . ?
N3 C13 C14 C18 177.78(17) . . . . ?
N3 C19 C20 C21 179.04(18) . . . . ?
N3 C19 C24 C23 -179.62(18) . . . . ?
N4 C14 C18 C17 1.6(3) . . . . ?
N4 C15 C16 C17 0.9(3) . . . . ?
C1 N1 C5 C4 1.7(3) . . . . ?
C1 N1 C5 C6 -176.97(15) . . . . ?
C1 C2 C3 C4 0.2(3) . . . . ?
C2 C3 C4 C5 0.5(3) . . . . ?
C3 C4 C5 N1 -1.4(3) . . . . ?
C3 C4 C5 C6 177.15(17) . . . . ?
C4 C5 C6 O1 3.9(3) . . . . ?
C4 C5 C6 N2 -177.50(17) . . . . ?
C5 N1 C1 C2 -1.0(3) . . . . ?
C6 N2 C7 C8 138.23(17) . . . . ?
C6 N2 C7 C12 -44.9(2) . . . . ?
C7 N2 C6 O1 -0.5(3) . . . . ?
C7 N2 C6 C5 -178.92(15) . . . . ?
C7 C8 C9 C10 0.5(3) . . . . ?
C8 C7 C12 C11 -1.5(3) . . . . ?
C8 C9 C10 C11 -0.2(3) . . . . ?
C9 C10 C11 C12 -1.0(3) . . . . ?
C10 C11 C12 C7 1.8(3) . . . . ?
C12 C7 C8 C9 0.3(3) . . . . ?
C13 N3 C19 C20 137.70(18) . . . . ?
C13 N3 C19 C24 -43.4(3) . . . . ?
C13 C14 C18 C17 -174.71(18) . . . . ?
C14 N4 C15 C16 -1.2(3) . . . . ?
C15 N4 C14 C13 176.42(16) . . . . ?
C15 N4 C14 C18 -0.1(3) . . . . ?
C15 C16 C17 C18 0.7(3) . . . . ?
C16 C17 C18 C14 -1.9(3) . . . . ?
C19 N3 C13 O2 8.1(3) . . . . ?
C19 N3 C13 C14 -168.02(16) . . . . ?
C19 C20 C21 C22 1.0(3) . . . . ?
C20 C19 C24 C23 -0.8(3) . . . . ?
C20 C21 C22 C23 -1.5(3) . . . . ?
C21 C22 C23 C24 0.8(3) . . . . ?
C22 C23 C24 C19 0.3(3) . . . . ?
C24 C19 C20 C21 0.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
