# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# 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_cxy1538_0ma
_database_code_depnum_ccdc_archive 'CCDC 2061399'
loop_
_audit_author_name
_audit_author_address
'Wei Shu'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2021-02-05 deposited with the CCDC.	2022-03-28 downloaded from the CCDC.
;
_audit_creation_date             2020-12-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H30 N4 O2'
_chemical_formula_sum            'C23 H30 N4 O2'
_chemical_formula_weight         394.51
_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'

_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                   16.0767(6)
_cell_length_b                   12.9097(5)
_cell_length_c                   10.9767(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.7120(10)
_cell_angle_gamma                90
_cell_volume                     2245.51(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.46
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1135 before and 0.0573 after correction.
The Ratio of minimum to maximum transmission is 0.9034.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21610
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_min         2.456
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_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                3890
_reflns_number_total             5190
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       0.0117(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         5190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.028
_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)+(0.0544P)²+0.8866P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1204
_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 Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C13(H13), C16(H16), C21(H21), C22(H22)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C23(H23A,H23B,H23C)
;
_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
O1 O 0.94761(6) 0.62268(7) 0.77775(9) 0.0219(2) Uani 1 1 d . . . . .
O2 O 0.84509(7) 0.30682(8) 0.87223(10) 0.0252(2) Uani 1 1 d . . . . .
N1 N 0.93565(7) 0.68485(8) 1.04509(10) 0.0172(2) Uani 1 1 d . . . . .
N2 N 0.89721(7) 0.46471(9) 0.82772(10) 0.0171(2) Uani 1 1 d . . . . .
N3 N 0.89201(7) 0.56865(9) 1.17308(11) 0.0203(3) Uani 1 1 d . . . . .
N4 N 0.86773(7) 0.42622(9) 1.02697(10) 0.0177(3) Uani 1 1 d . . . . .
C1 C 0.96328(9) 0.78375(10) 1.00127(13) 0.0211(3) Uani 1 1 d . . . . .
H1A H 0.918383 0.812651 0.939052 0.032 Uiso 1 1 calc R U . . .
H1B H 1.014067 0.773023 0.964447 0.032 Uiso 1 1 calc R U . . .
H1C H 0.975953 0.831962 1.070889 0.032 Uiso 1 1 calc R U . . .
C2 C 0.91854(8) 0.59371(10) 0.97942(12) 0.0153(3) Uani 1 1 d . . . . .
C3 C 0.92362(8) 0.56702(10) 0.85578(12) 0.0162(3) Uani 1 1 d . . . . .
C4 C 0.89397(9) 0.43191(11) 0.69843(12) 0.0192(3) Uani 1 1 d . . . . .
H4A H 0.901013 0.355834 0.695172 0.023 Uiso 1 1 calc R U . . .
H4B H 0.940892 0.464605 0.664536 0.023 Uiso 1 1 calc R U . . .
C5 C 0.81024(9) 0.46268(12) 0.62020(12) 0.0230(3) Uani 1 1 d . . . . .
H5A H 0.799529 0.536891 0.634242 0.028 Uiso 1 1 calc R U . . .
H5B H 0.764360 0.422249 0.647413 0.028 Uiso 1 1 calc R U . . .
C6 C 0.80794(9) 0.44475(11) 0.48182(12) 0.0206(3) Uani 1 1 d . . . . .
H6A H 0.853202 0.485823 0.453861 0.025 Uiso 1 1 calc R U . . .
H6B H 0.818834 0.370666 0.467295 0.025 Uiso 1 1 calc R U . . .
C7 C 0.72339(9) 0.47533(11) 0.40688(12) 0.0205(3) Uani 1 1 d . . . . .
C8 C 0.70654(8) 0.58919(11) 0.41005(13) 0.0201(3) Uani 1 1 d . . . . .
C9 C 0.74078(9) 0.65586(12) 0.33243(13) 0.0243(3) Uani 1 1 d . . . . .
H9 H 0.771019 0.628088 0.272681 0.029 Uiso 1 1 calc R U . . .
C10 C 0.73157(9) 0.76235(12) 0.34068(15) 0.0278(3) Uani 1 1 d . . . . .
H10 H 0.755127 0.806210 0.285891 0.033 Uiso 1 1 calc R U . . .
C11 C 0.68856(9) 0.80596(12) 0.42754(14) 0.0264(3) Uani 1 1 d . . . . .
C12 C 0.68057(11) 0.92155(13) 0.43951(18) 0.0376(4) Uani 1 1 d . . . . .
H12A H 0.621688 0.939429 0.442339 0.056 Uiso 1 1 calc R U . . .
H12B H 0.698363 0.955520 0.368303 0.056 Uiso 1 1 calc R U . . .
H12C H 0.716470 0.944948 0.515668 0.056 Uiso 1 1 calc R U . . .
C13 C 0.91849(9) 0.66502(11) 1.15858(13) 0.0199(3) Uani 1 1 d . . . . .
H13 H 0.924694 0.715246 1.222724 0.024 Uiso 1 1 calc R U . . .
C14 C 0.89210(8) 0.52593(10) 1.06042(12) 0.0158(3) Uani 1 1 d . . . . .
C15 C 0.86819(8) 0.39349(10) 0.90771(13) 0.0180(3) Uani 1 1 d . . . . .
C16 C 0.67297(9) 0.40239(12) 0.34836(13) 0.0257(3) Uani 1 1 d . . . . .
H16 H 0.696300 0.334670 0.357767 0.031 Uiso 1 1 calc R U . . .
C17 C 0.58572(10) 0.40608(13) 0.26971(15) 0.0311(4) Uani 1 1 d . . . . .
C18 C 0.55209(13) 0.51508(17) 0.2364(2) 0.0594(6) Uani 1 1 d . . . . .
H18A H 0.541542 0.550503 0.311326 0.089 Uiso 1 1 calc R U . . .
H18B H 0.499347 0.510402 0.177122 0.089 Uiso 1 1 calc R U . . .
H18C H 0.593828 0.554182 0.199587 0.089 Uiso 1 1 calc R U . . .
C19 C 0.58958(12) 0.34883(18) 0.14917(17) 0.0479(5) Uani 1 1 d . . . . .
H19A H 0.627038 0.386117 0.102544 0.072 Uiso 1 1 calc R U . . .
H19B H 0.532853 0.344953 0.099879 0.072 Uiso 1 1 calc R U . . .
H19C H 0.611314 0.278643 0.167678 0.072 Uiso 1 1 calc R U . . .
C20 C 0.52603(12) 0.3478(2) 0.3392(2) 0.0601(6) Uani 1 1 d . . . . .
H20A H 0.547609 0.277667 0.358303 0.090 Uiso 1 1 calc R U . . .
H20B H 0.469990 0.343959 0.287928 0.090 Uiso 1 1 calc R U . . .
H20C H 0.522062 0.384408 0.416301 0.090 Uiso 1 1 calc R U . . .
C21 C 0.66273(9) 0.63296(12) 0.49660(14) 0.0250(3) Uani 1 1 d . . . . .
H21 H 0.638541 0.589197 0.550801 0.030 Uiso 1 1 calc R U . . .
C22 C 0.65399(9) 0.73932(12) 0.50466(14) 0.0277(3) Uani 1 1 d . . . . .
H22 H 0.623687 0.767244 0.564239 0.033 Uiso 1 1 calc R U . . .
C23 C 0.83786(10) 0.35783(11) 1.11718(14) 0.0253(3) Uani 1 1 d . . . . .
H23A H 0.808891 0.298027 1.074321 0.038 Uiso 1 1 calc R U . . .
H23B H 0.798649 0.395866 1.160087 0.038 Uiso 1 1 calc R U . . .
H23C H 0.886072 0.333913 1.177413 0.038 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
O1 C3 1.2288(16) . ?
O2 C15 1.2218(16) . ?
N1 C1 1.4597(17) . ?
N1 C2 1.3830(17) . ?
N1 C13 1.3452(17) . ?
N2 C3 1.4056(17) . ?
N2 C4 1.4735(16) . ?
N2 C15 1.4043(17) . ?
N3 C13 1.3331(18) . ?
N3 C14 1.3543(17) . ?
N4 C14 1.3772(17) . ?
N4 C15 1.3767(17) . ?
N4 C23 1.4667(17) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.4159(18) . ?
C2 C14 1.3654(18) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.5223(19) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.5308(19) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.5177(19) . ?
C7 C8 1.496(2) . ?
C7 C16 1.334(2) . ?
C8 C9 1.388(2) . ?
C8 C21 1.394(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(2) . ?
C11 C12 1.505(2) . ?
C11 C22 1.387(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.519(2) . ?
C17 C18 1.529(3) . ?
C17 C19 1.526(2) . ?
C17 C20 1.522(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C22 1.385(2) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 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
C2 N1 C1 128.11(11) . . ?
C13 N1 C1 126.37(11) . . ?
C13 N1 C2 105.48(11) . . ?
C3 N2 C4 116.19(11) . . ?
C15 N2 C3 126.74(11) . . ?
C15 N2 C4 116.92(11) . . ?
C13 N3 C14 102.79(11) . . ?
C14 N4 C23 119.57(11) . . ?
C15 N4 C14 119.56(11) . . ?
C15 N4 C23 120.81(11) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 131.92(12) . . ?
C14 C2 N1 105.20(11) . . ?
C14 C2 C3 122.88(12) . . ?
O1 C3 N2 121.03(12) . . ?
O1 C3 C2 126.97(12) . . ?
N2 C3 C2 112.00(11) . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
N2 C4 C5 110.64(11) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C4 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
C4 C5 C6 113.03(11) . . ?
H5A C5 H5B 107.8 . . ?
C6 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
C5 C6 H6A 109.3 . . ?
C5 C6 H6B 109.3 . . ?
H6A C6 H6B 108.0 . . ?
C7 C6 C5 111.59(11) . . ?
C7 C6 H6A 109.3 . . ?
C7 C6 H6B 109.3 . . ?
C8 C7 C6 113.08(12) . . ?
C16 C7 C6 119.55(13) . . ?
C16 C7 C8 127.37(13) . . ?
C9 C8 C7 120.18(13) . . ?
C9 C8 C21 117.71(14) . . ?
C21 C8 C7 121.89(13) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.10(14) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.18(14) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C12 121.45(15) . . ?
C22 C11 C10 117.71(14) . . ?
C22 C11 C12 120.84(15) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 H13 123.0 . . ?
N3 C13 N1 114.06(12) . . ?
N3 C13 H13 123.0 . . ?
N3 C14 N4 125.45(12) . . ?
N3 C14 C2 112.46(12) . . ?
C2 C14 N4 122.09(12) . . ?
O2 C15 N2 121.02(12) . . ?
O2 C15 N4 122.28(12) . . ?
N4 C15 N2 116.70(11) . . ?
C7 C16 H16 113.6 . . ?
C7 C16 C17 132.78(15) . . ?
C17 C16 H16 113.6 . . ?
C16 C17 C18 114.84(14) . . ?
C16 C17 C19 108.00(14) . . ?
C16 C17 C20 107.42(14) . . ?
C19 C17 C18 107.64(16) . . ?
C20 C17 C18 110.29(18) . . ?
C20 C17 C19 108.48(16) . . ?
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 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C8 C21 H21 119.5 . . ?
C22 C21 C8 120.92(14) . . ?
C22 C21 H21 119.5 . . ?
C11 C22 H22 119.3 . . ?
C21 C22 C11 121.37(14) . . ?
C21 C22 H22 119.3 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
N1 C2 C3 O1 1.8(2) . . . . ?
N1 C2 C3 N2 -178.20(13) . . . . ?
N1 C2 C14 N3 -0.36(15) . . . . ?
N1 C2 C14 N4 178.87(11) . . . . ?
N2 C4 C5 C6 171.75(12) . . . . ?
C1 N1 C2 C3 1.5(2) . . . . ?
C1 N1 C2 C14 -177.75(12) . . . . ?
C1 N1 C13 N3 178.14(12) . . . . ?
C2 N1 C13 N3 0.30(16) . . . . ?
C3 N2 C4 C5 -85.12(14) . . . . ?
C3 N2 C15 O2 178.44(12) . . . . ?
C3 N2 C15 N4 -1.94(19) . . . . ?
C3 C2 C14 N3 -179.70(12) . . . . ?
C3 C2 C14 N4 -0.5(2) . . . . ?
C4 N2 C3 O1 -4.50(18) . . . . ?
C4 N2 C3 C2 175.51(11) . . . . ?
C4 N2 C15 O2 3.25(18) . . . . ?
C4 N2 C15 N4 -177.13(11) . . . . ?
C4 C5 C6 C7 179.49(12) . . . . ?
C5 C6 C7 C8 66.45(15) . . . . ?
C5 C6 C7 C16 -112.84(15) . . . . ?
C6 C7 C8 C9 81.70(16) . . . . ?
C6 C7 C8 C21 -92.81(16) . . . . ?
C6 C7 C16 C17 178.53(14) . . . . ?
C7 C8 C9 C10 -174.82(13) . . . . ?
C7 C8 C21 C22 174.51(13) . . . . ?
C7 C16 C17 C18 8.9(3) . . . . ?
C7 C16 C17 C19 128.99(19) . . . . ?
C7 C16 C17 C20 -114.2(2) . . . . ?
C8 C7 C16 C17 -0.6(3) . . . . ?
C8 C9 C10 C11 0.6(2) . . . . ?
C8 C21 C22 C11 -0.2(2) . . . . ?
C9 C8 C21 C22 -0.1(2) . . . . ?
C9 C10 C11 C12 178.15(14) . . . . ?
C9 C10 C11 C22 -0.9(2) . . . . ?
C10 C11 C22 C21 0.7(2) . . . . ?
C12 C11 C22 C21 -178.37(14) . . . . ?
C13 N1 C2 C3 179.29(14) . . . . ?
C13 N1 C2 C14 0.04(14) . . . . ?
C13 N3 C14 N4 -178.67(13) . . . . ?
C13 N3 C14 C2 0.53(15) . . . . ?
C14 N3 C13 N1 -0.51(15) . . . . ?
C14 N4 C15 O2 -178.03(12) . . . . ?
C14 N4 C15 N2 2.36(18) . . . . ?
C14 C2 C3 O1 -179.04(13) . . . . ?
C14 C2 C3 N2 0.94(18) . . . . ?
C15 N2 C3 O1 -179.73(12) . . . . ?
C15 N2 C3 C2 0.29(18) . . . . ?
C15 N2 C4 C5 90.59(14) . . . . ?
C15 N4 C14 N3 177.82(12) . . . . ?
C15 N4 C14 C2 -1.30(19) . . . . ?
C16 C7 C8 C9 -99.08(18) . . . . ?
C16 C7 C8 C21 86.41(19) . . . . ?
C21 C8 C9 C10 -0.1(2) . . . . ?
C23 N4 C14 N3 0.7(2) . . . . ?
C23 N4 C14 C2 -178.44(12) . . . . ?
C23 N4 C15 O2 -0.9(2) . . . . ?
C23 N4 C15 N2 179.46(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
