# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# 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 
# this file and to allow appropriate attribution of the data. 
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data_mo_20180171-znmo-2_0m
_database_code_depnum_ccdc_archive 'CCDC 2097251'
loop_
_audit_author_name
_audit_author_address
'Muhammad Ashfaq'
;University of Sargodha
Pakistan
;
_audit_update_record             
;
2021-07-18 deposited with the CCDC.	2024-02-06 downloaded from the CCDC.
;
_audit_creation_date             2021-06-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H16 N2 O10 Zn, 2(C3 H7 N O), 2(C2 H8 N)'
_chemical_formula_sum            'C40 H46 N6 O12 Zn'
_chemical_formula_weight         868.20
_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'
Zn Zn 0.2839 1.4301 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   13.2667(11)
_cell_length_b                   13.8534(12)
_cell_length_c                   22.0429(19)
_cell_angle_alpha                90
_cell_angle_beta                 93.349(2)
_cell_angle_gamma                90
_cell_volume                     4044.3(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3895
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.276
_cell_measurement_theta_min      2.284
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0665 before and 0.0548 after correction.
The Ratio of minimum to maximum transmission is 0.8994.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            16769
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.528
_diffrn_reflns_theta_min         1.851
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_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           30.0
_diffrn_source_power             1.5
_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                3883
_reflns_number_total             4637
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4637
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.049
_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)+(0.0600P)²+1.2508P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1092
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14),
 C18(H18)
2.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C)
;
_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
Zn1 Zn 0.000000 0.37256(2) 0.250000 0.01856(11) Uani 1 2 d S T P . .
O1 O 0.10303(11) 0.46405(10) 0.28121(6) 0.0294(3) Uani 1 1 d . . . . .
O2 O 0.10723(14) 0.40284(13) 0.37496(8) 0.0449(5) Uani 1 1 d . . . . .
O3 O 0.32002(12) 0.74574(12) 0.23696(7) 0.0365(4) Uani 1 1 d . . . . .
O4 O 0.43734(11) 0.78824(10) 0.30854(6) 0.0277(3) Uani 1 1 d . . . . .
O5 O 0.50560(12) 0.64897(13) 0.49015(7) 0.0374(4) Uani 1 1 d . . . . .
N1 N 0.33778(13) 0.62399(12) 0.50042(7) 0.0264(4) Uani 1 1 d . . . . .
H1 H 0.291677 0.618424 0.526055 0.032 Uiso 1 1 calc R U . . .
C1 C 0.13415(15) 0.46169(14) 0.33697(9) 0.0258(4) Uani 1 1 d . . . . .
C2 C 0.20876(14) 0.53950(14) 0.35693(9) 0.0218(4) Uani 1 1 d . . . . .
C3 C 0.24764(15) 0.60276(14) 0.31519(9) 0.0223(4) Uani 1 1 d . . . . .
H3 H 0.227628 0.597584 0.274176 0.027 Uiso 1 1 calc R U . . .
C4 C 0.31627(14) 0.67362(13) 0.33459(8) 0.0206(4) Uani 1 1 d . . . . .
C5 C 0.34561(14) 0.68263(14) 0.39578(8) 0.0214(4) Uani 1 1 d . . . . .
H5 H 0.390012 0.731325 0.408822 0.026 Uiso 1 1 calc R U . . .
C6 C 0.30809(15) 0.61818(14) 0.43773(9) 0.0229(4) Uani 1 1 d . . . . .
C7 C 0.23984(15) 0.54695(14) 0.41807(9) 0.0238(4) Uani 1 1 d . . . . .
H7 H 0.214878 0.504081 0.445993 0.029 Uiso 1 1 calc R U . . .
C8 C 0.43427(16) 0.63775(14) 0.52262(9) 0.0252(4) Uani 1 1 d . . . . .
C9 C 0.45076(15) 0.63613(14) 0.59009(9) 0.0226(4) Uani 1 1 d . . . . .
C10 C 0.54607(16) 0.61113(15) 0.61498(9) 0.0262(4) Uani 1 1 d . . . . .
H10 H 0.597338 0.596097 0.589549 0.031 Uiso 1 1 calc R U . . .
C11 C 0.56489(16) 0.60856(15) 0.67733(9) 0.0264(4) Uani 1 1 d . . . . .
H11 H 0.628567 0.590653 0.693337 0.032 Uiso 1 1 calc R U . . .
C12 C 0.49006(15) 0.63233(14) 0.71663(8) 0.0218(4) Uani 1 1 d . . . . .
C13 C 0.39466(15) 0.65850(16) 0.69121(9) 0.0262(4) Uani 1 1 d . . . . .
H13 H 0.343734 0.675085 0.716538 0.031 Uiso 1 1 calc R U . . .
C14 C 0.37541(16) 0.65991(15) 0.62877(9) 0.0262(4) Uani 1 1 d . . . . .
H14 H 0.311565 0.676912 0.612576 0.031 Uiso 1 1 calc R U . . .
C15 C 0.35967(15) 0.74072(14) 0.28888(9) 0.0224(4) Uani 1 1 d . . . . .
O6 O 0.16822(14) 0.55194(15) 0.56077(8) 0.0576(5) Uani 1 1 d . . . . .
N3 N 0.08404(15) 0.42879(14) 0.60291(9) 0.0375(5) Uani 1 1 d . . . . .
C18 C 0.13847(18) 0.50867(19) 0.60517(12) 0.0423(6) Uani 1 1 d . . . . .
H18 H 0.155735 0.534336 0.643357 0.051 Uiso 1 1 calc R U . . .
C19 C 0.0488(2) 0.3864(2) 0.54540(15) 0.0541(7) Uani 1 1 d . . . . .
H19A H -0.023656 0.387766 0.541876 0.081 Uiso 1 1 calc R U . . .
H19B H 0.071758 0.320850 0.543546 0.081 Uiso 1 1 calc R U . . .
H19C H 0.074945 0.422662 0.512675 0.081 Uiso 1 1 calc R U . . .
C20 C 0.0570(2) 0.38009(18) 0.65830(13) 0.0473(7) Uani 1 1 d . . . . .
H20A H 0.089404 0.318141 0.660943 0.071 Uiso 1 1 calc R U . . .
H20B H -0.014883 0.371671 0.657488 0.071 Uiso 1 1 calc R U . . .
H20C H 0.078707 0.418382 0.692937 0.071 Uiso 1 1 calc R U . . .
N2 N 0.60720(15) 0.69933(14) 0.38417(9) 0.0397(5) Uani 1 1 d . . . . .
H2A H 0.558383 0.706137 0.409869 0.048 Uiso 1 1 calc R U . . .
H2B H 0.598329 0.744854 0.355871 0.048 Uiso 1 1 calc R U . . .
C16 C 0.5956(2) 0.60589(19) 0.35495(16) 0.0567(8) Uani 1 1 d . . . . .
H16A H 0.644261 0.599502 0.324629 0.085 Uiso 1 1 calc R U . . .
H16B H 0.528759 0.600462 0.336112 0.085 Uiso 1 1 calc R U . . .
H16C H 0.606130 0.555834 0.384769 0.085 Uiso 1 1 calc R U . . .
C17 C 0.7034(2) 0.7160(3) 0.41720(15) 0.0603(8) Uani 1 1 d . . . . .
H17A H 0.756260 0.716426 0.389267 0.090 Uiso 1 1 calc R U . . .
H17B H 0.715798 0.665588 0.446548 0.090 Uiso 1 1 calc R U . . .
H17C H 0.701774 0.777154 0.437647 0.090 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
Zn1 O1 1.9591(14) 2 ?
Zn1 O1 1.9592(14) . ?
Zn1 O4 1.9612(13) 4_545 ?
Zn1 O4 1.9612(13) 3_445 ?
O1 C1 1.274(2) . ?
O2 C1 1.236(2) . ?
O3 C15 1.233(2) . ?
O4 C15 1.277(2) . ?
O5 C8 1.229(3) . ?
N1 H1 0.8600 . ?
N1 C6 1.417(2) . ?
N1 C8 1.357(3) . ?
C1 C2 1.512(3) . ?
C2 C3 1.392(3) . ?
C2 C7 1.390(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(3) . ?
C4 C5 1.388(3) . ?
C4 C15 1.509(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.398(3) . ?
C6 C7 1.391(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.491(3) . ?
C9 C10 1.392(3) . ?
C9 C14 1.391(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.383(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.395(3) . ?
C12 C12 1.479(4) 2_656 ?
C12 C13 1.402(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(3) . ?
C14 H14 0.9300 . ?
O6 C18 1.232(3) . ?
N3 C18 1.321(3) . ?
N3 C19 1.449(3) . ?
N3 C20 1.458(3) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
N2 H2A 0.8900 . ?
N2 H2B 0.8900 . ?
N2 C16 1.450(3) . ?
N2 C17 1.450(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 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
O1 Zn1 O1 99.38(9) 2 . ?
O1 Zn1 O4 117.92(6) . 3_445 ?
O1 Zn1 O4 117.91(6) 2 4_545 ?
O1 Zn1 O4 107.61(6) . 4_545 ?
O1 Zn1 O4 107.61(6) 2 3_445 ?
O4 Zn1 O4 106.88(9) 4_545 3_445 ?
C1 O1 Zn1 120.15(13) . . ?
C15 O4 Zn1 116.65(12) . 3 ?
C6 N1 H1 117.9 . . ?
C8 N1 H1 117.9 . . ?
C8 N1 C6 124.21(17) . . ?
O1 C1 C2 115.61(17) . . ?
O2 C1 O1 125.47(19) . . ?
O2 C1 C2 118.91(18) . . ?
C3 C2 C1 121.23(17) . . ?
C7 C2 C1 119.16(17) . . ?
C7 C2 C3 119.60(17) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.20(18) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C15 119.90(17) . . ?
C5 C4 C3 120.29(17) . . ?
C5 C4 C15 119.81(17) . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.67(17) . . ?
C6 C5 H5 120.2 . . ?
C5 C6 N1 121.30(17) . . ?
C7 C6 N1 118.86(17) . . ?
C7 C6 C5 119.84(18) . . ?
C2 C7 C6 120.36(18) . . ?
C2 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
O5 C8 N1 123.36(19) . . ?
O5 C8 C9 120.64(19) . . ?
N1 C8 C9 115.97(18) . . ?
C10 C9 C8 118.28(18) . . ?
C14 C9 C8 122.63(18) . . ?
C14 C9 C10 119.08(18) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.34(19) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.17(19) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C12 121.7(2) . 2_656 ?
C11 C12 C13 118.15(17) . . ?
C13 C12 C12 120.1(2) . 2_656 ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.71(18) . . ?
C14 C13 H13 119.6 . . ?
C9 C14 H14 119.7 . . ?
C13 C14 C9 120.55(19) . . ?
C13 C14 H14 119.7 . . ?
O3 C15 O4 125.29(18) . . ?
O3 C15 C4 119.70(18) . . ?
O4 C15 C4 115.01(16) . . ?
C18 N3 C19 121.3(2) . . ?
C18 N3 C20 121.1(2) . . ?
C19 N3 C20 117.6(2) . . ?
O6 C18 N3 125.3(2) . . ?
O6 C18 H18 117.4 . . ?
N3 C18 H18 117.4 . . ?
N3 C19 H19A 109.5 . . ?
N3 C19 H19B 109.5 . . ?
N3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
H2A N2 H2B 107.4 . . ?
C16 N2 H2A 108.4 . . ?
C16 N2 H2B 108.4 . . ?
C16 N2 C17 115.6(2) . . ?
C17 N2 H2A 108.4 . . ?
C17 N2 H2B 108.4 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 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
Zn1 O1 C1 O2 2.6(3) . . . . ?
Zn1 O1 C1 C2 -176.30(12) . . . . ?
Zn1 O4 C15 O3 -2.0(3) 3 . . . ?
Zn1 O4 C15 C4 177.59(12) 3 . . . ?
O1 C1 C2 C3 -6.2(3) . . . . ?
O1 C1 C2 C7 174.62(18) . . . . ?
O2 C1 C2 C3 174.9(2) . . . . ?
O2 C1 C2 C7 -4.3(3) . . . . ?
O5 C8 C9 C10 -23.8(3) . . . . ?
O5 C8 C9 C14 155.2(2) . . . . ?
N1 C6 C7 C2 179.70(18) . . . . ?
N1 C8 C9 C10 154.66(19) . . . . ?
N1 C8 C9 C14 -26.3(3) . . . . ?
C1 C2 C3 C4 -179.90(18) . . . . ?
C1 C2 C7 C6 -179.70(18) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C2 C3 C4 C15 178.80(17) . . . . ?
C3 C2 C7 C6 1.1(3) . . . . ?
C3 C4 C5 C6 1.9(3) . . . . ?
C3 C4 C15 O3 14.5(3) . . . . ?
C3 C4 C15 O4 -165.12(18) . . . . ?
C4 C5 C6 N1 178.81(18) . . . . ?
C4 C5 C6 C7 -1.5(3) . . . . ?
C5 C4 C15 O3 -165.90(19) . . . . ?
C5 C4 C15 O4 14.5(3) . . . . ?
C5 C6 C7 C2 0.0(3) . . . . ?
C6 N1 C8 O5 1.8(3) . . . . ?
C6 N1 C8 C9 -176.62(17) . . . . ?
C7 C2 C3 C4 -0.7(3) . . . . ?
C8 N1 C6 C5 -44.0(3) . . . . ?
C8 N1 C6 C7 136.3(2) . . . . ?
C8 C9 C10 C11 -179.94(18) . . . . ?
C8 C9 C14 C13 -179.20(19) . . . . ?
C9 C10 C11 C12 -1.1(3) . . . . ?
C10 C9 C14 C13 -0.2(3) . . . . ?
C10 C11 C12 C12 -178.38(15) . . . 2_656 ?
C10 C11 C12 C13 0.4(3) . . . . ?
C11 C12 C13 C14 0.5(3) . . . . ?
C12 C12 C13 C14 179.22(16) 2_656 . . . ?
C12 C13 C14 C9 -0.5(3) . . . . ?
C14 C9 C10 C11 1.0(3) . . . . ?
C15 C4 C5 C6 -177.69(17) . . . . ?
C19 N3 C18 O6 -3.5(4) . . . . ?
C20 N3 C18 O6 176.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
