# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_18marc
_database_code_depnum_ccdc_archive 'CCDC 2129638'
loop_
_audit_author_name
_audit_author_address
'Usha Yadav'
;Indian Institute of Technology Kanpur
India
;
_audit_update_record             
;
2021-12-18 deposited with the CCDC.	2022-07-13 downloaded from the CCDC.
;
_audit_creation_date             2021-08-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H40 N8'
_chemical_formula_sum            'C48 H40 N8'
_chemical_formula_weight         728.88
_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'

_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                   15.167(8)
_cell_length_b                   8.833(5)
_cell_length_c                   15.473(10)
_cell_angle_alpha                90
_cell_angle_beta                 118.39(3)
_cell_angle_gamma                90
_cell_volume                     1823.6(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6245
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.858
_cell_measurement_theta_min      2.695
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1182 before and 0.0613 after correction. The Ratio of minimum to maximum transmission is 0.9250. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light white'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.0404
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28441
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.874
_diffrn_reflns_theta_min         2.766
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.944
_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           1.0
_diffrn_source_power             0.05
_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                3180
_reflns_number_total             4511
_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  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4511
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.033
_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)+(0.0566P)²+1.3904P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1550
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C22(H22A,H22B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C21(H21), C18(H18), C20(H20), C17(H17), C10(H10), C7(H7),
 C9(H9), C14(H14), C12(H12), C15(H15), C8(H8), C13(H13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
N4 N 0.50011(11) 0.42367(17) 0.91545(11) 0.0260(3) Uani 1 1 d . . . . .
N1 N 0.15777(12) 0.30130(19) 0.21237(12) 0.0301(4) Uani 1 1 d . . . . .
N2 N 0.25811(13) 0.6741(2) 0.20914(13) 0.0343(4) Uani 1 1 d . . . . .
C2 C 0.26356(13) 0.4603(2) 0.35099(13) 0.0237(4) Uani 1 1 d . . . . .
H2 H 0.296230 0.552545 0.373171 0.028 Uiso 1 1 calc R U . . .
C4 C 0.22037(13) 0.2140(2) 0.38231(13) 0.0250(4) Uani 1 1 d . . . . .
H4 H 0.223316 0.137667 0.425031 0.030 Uiso 1 1 calc R U . . .
C5 C 0.16496(14) 0.1923(2) 0.27903(14) 0.0278(4) Uani 1 1 d . . . . .
C21 C 0.31094(13) 0.3089(2) 0.59985(14) 0.0254(4) Uani 1 1 d . . . . .
H21 H 0.252004 0.253722 0.578474 0.030 Uiso 1 1 calc R U . . .
C18 C 0.48369(14) 0.4731(2) 0.66571(15) 0.0290(4) Uani 1 1 d . . . . .
H18 H 0.541844 0.530283 0.687160 0.035 Uiso 1 1 calc R U . . .
C16 C 0.33279(13) 0.3753(2) 0.52878(13) 0.0243(4) Uani 1 1 d . . . . .
C20 C 0.37540(14) 0.3234(2) 0.70220(14) 0.0259(4) Uani 1 1 d . . . . .
H20 H 0.357728 0.279459 0.746424 0.031 Uiso 1 1 calc R U . . .
C1 C 0.20770(13) 0.4327(2) 0.24891(14) 0.0254(4) Uani 1 1 d . . . . .
C17 C 0.41891(14) 0.4612(2) 0.56368(14) 0.0280(4) Uani 1 1 d . . . . .
H17 H 0.434395 0.511449 0.519809 0.034 Uiso 1 1 calc R U . . .
N3 N 0.13716(15) -0.0736(2) 0.29804(14) 0.0430(5) Uani 1 1 d . . . . .
C3 C 0.27019(13) 0.3504(2) 0.41896(14) 0.0255(4) Uani 1 1 d . . . . .
C19 C 0.46423(13) 0.4022(2) 0.73654(14) 0.0264(4) Uani 1 1 d . . . . .
C6 C 0.20081(14) 0.5495(2) 0.17485(14) 0.0267(4) Uani 1 1 d . . . . .
C10 C 0.24969(15) 0.7819(2) 0.14152(15) 0.0335(5) Uani 1 1 d . . . . .
H10 H 0.288549 0.868951 0.164087 0.040 Uiso 1 1 calc R U . . .
C7 C 0.13558(16) 0.5283(2) 0.07482(14) 0.0314(4) Uani 1 1 d . . . . .
H7 H 0.097698 0.440160 0.053372 0.038 Uiso 1 1 calc R U . . .
C24 C 0.57752(14) 0.3995(2) 1.01894(14) 0.0305(4) Uani 1 1 d . . . . .
H24A H 0.632614 0.468887 1.034506 0.037 Uiso 1 1 calc R U . . .
H24B H 0.603471 0.297287 1.025723 0.037 Uiso 1 1 calc R U . . .
C22 C 0.54053(14) 0.4030(2) 0.84654(14) 0.0301(4) Uani 1 1 d . . . . .
H22A H 0.576891 0.307891 0.862107 0.036 Uiso 1 1 calc R U . . .
H22B H 0.588585 0.483134 0.858081 0.036 Uiso 1 1 calc R U . . .
C23 C 0.46124(15) 0.5776(2) 0.90724(14) 0.0303(4) Uani 1 1 d . . . . .
H23A H 0.407324 0.594464 0.841172 0.036 Uiso 1 1 calc R U . . .
H23B H 0.513999 0.650207 0.919819 0.036 Uiso 1 1 calc R U . . .
C11 C 0.11083(14) 0.0479(2) 0.23709(15) 0.0301(4) Uani 1 1 d . . . . .
C9 C 0.18573(16) 0.7675(2) 0.04055(16) 0.0358(5) Uani 1 1 d . . . . .
H9 H 0.182654 0.842411 -0.003015 0.043 Uiso 1 1 calc R U . . .
C14 C 0.01409(16) -0.2196(3) 0.16297(18) 0.0399(5) Uani 1 1 d . . . . .
H14 H -0.017401 -0.311997 0.138698 0.048 Uiso 1 1 calc R U . . .
C12 C 0.03646(18) 0.0407(3) 0.14084(18) 0.0462(6) Uani 1 1 d . . . . .
H12 H 0.019241 0.126443 0.101239 0.055 Uiso 1 1 calc R U . . .
C15 C 0.08872(18) -0.2057(3) 0.26000(18) 0.0431(5) Uani 1 1 d . . . . .
H15 H 0.106071 -0.290515 0.300404 0.052 Uiso 1 1 calc R U . . .
C8 C 0.12725(19) 0.6387(3) 0.00735(17) 0.0428(5) Uani 1 1 d . . . . .
H8 H 0.082969 0.626216 -0.059144 0.051 Uiso 1 1 calc R U . . .
C13 C -0.01200(19) -0.0939(3) 0.1039(2) 0.0539(7) Uani 1 1 d . . . . .
H13 H -0.062361 -0.099865 0.039012 0.065 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
N4 C24 1.484(2) . ?
N4 C22 1.472(3) . ?
N4 C23 1.464(2) . ?
N1 C5 1.377(3) . ?
N1 C1 1.354(3) . ?
N2 C6 1.346(3) . ?
N2 C10 1.375(3) . ?
C2 H2 0.9300 . ?
C2 C1 1.414(3) . ?
C2 C3 1.399(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.421(3) . ?
C4 C3 1.392(3) . ?
C5 C11 1.488(3) . ?
C21 H21 0.9300 . ?
C21 C16 1.418(3) . ?
C21 C20 1.417(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.412(3) . ?
C18 C19 1.410(3) . ?
C16 C17 1.379(3) . ?
C16 C3 1.518(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.379(3) . ?
C1 C6 1.508(3) . ?
C17 H17 0.9300 . ?
N3 C11 1.358(3) . ?
N3 C15 1.355(3) . ?
C19 C22 1.537(3) . ?
C6 C7 1.398(3) . ?
C10 H10 0.9300 . ?
C10 C9 1.399(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.390(3) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C23 1.526(3) 3_667 ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C11 C12 1.377(3) . ?
C9 H9 0.9300 . ?
C9 C8 1.382(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.391(3) . ?
C14 C13 1.372(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.371(3) . ?
C15 H15 0.9300 . ?
C8 H8 0.9300 . ?
C13 H13 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
C22 N4 C24 112.05(15) . . ?
C23 N4 C24 107.88(15) . . ?
C23 N4 C22 109.99(15) . . ?
C1 N1 C5 117.21(17) . . ?
C6 N2 C10 117.22(18) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C3 C2 C1 120.68(17) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.40(17) . . ?
N1 C5 C4 122.82(18) . . ?
N1 C5 C11 116.22(17) . . ?
C4 C5 C11 120.96(17) . . ?
C16 C21 H21 118.7 . . ?
C20 C21 H21 118.7 . . ?
C20 C21 C16 122.56(17) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 H18 118.5 . . ?
C19 C18 C17 122.99(17) . . ?
C21 C16 C3 123.79(16) . . ?
C17 C16 C21 116.80(17) . . ?
C17 C16 C3 119.34(17) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.31(17) . . ?
C19 C20 H20 119.8 . . ?
N1 C1 C2 122.27(17) . . ?
N1 C1 C6 116.50(17) . . ?
C2 C1 C6 121.24(17) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 C18 120.32(18) . . ?
C16 C17 H17 119.8 . . ?
C15 N3 C11 117.3(2) . . ?
C2 C3 C16 121.61(16) . . ?
C4 C3 C2 117.61(17) . . ?
C4 C3 C16 120.73(16) . . ?
C18 C19 C22 122.22(17) . . ?
C20 C19 C18 116.87(17) . . ?
C20 C19 C22 120.79(17) . . ?
N2 C6 C1 117.50(17) . . ?
N2 C6 C7 122.05(18) . . ?
C7 C6 C1 120.44(17) . . ?
N2 C10 H10 118.3 . . ?
N2 C10 C9 123.45(19) . . ?
C9 C10 H10 118.3 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.09(19) . . ?
C8 C7 H7 120.0 . . ?
N4 C24 H24A 108.9 . . ?
N4 C24 H24B 108.9 . . ?
N4 C24 C23 113.57(16) . 3_667 ?
H24A C24 H24B 107.7 . . ?
C23 C24 H24A 108.9 3_667 . ?
C23 C24 H24B 108.9 3_667 . ?
N4 C22 C19 116.68(16) . . ?
N4 C22 H22A 108.1 . . ?
N4 C22 H22B 108.1 . . ?
C19 C22 H22A 108.1 . . ?
C19 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
N4 C23 C24 109.92(16) . 3_667 ?
N4 C23 H23A 109.7 . . ?
N4 C23 H23B 109.7 . . ?
C24 C23 H23A 109.7 3_667 . ?
C24 C23 H23B 109.7 3_667 . ?
H23A C23 H23B 108.2 . . ?
N3 C11 C5 117.09(18) . . ?
N3 C11 C12 122.3(2) . . ?
C12 C11 C5 120.62(19) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 C10 118.1(2) . . ?
C8 C9 H9 120.9 . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C13 C14 C15 118.5(2) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.5(2) . . ?
C13 C12 H12 120.3 . . ?
N3 C15 C14 122.7(2) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C7 C8 H8 120.5 . . ?
C9 C8 C7 119.0(2) . . ?
C9 C8 H8 120.5 . . ?
C14 C13 H13 120.1 . . ?
C12 C13 C14 119.8(2) . . ?
C12 C13 H13 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
N1 C5 C11 N3 163.18(17) . . . . ?
N1 C5 C11 C12 -17.7(3) . . . . ?
N1 C1 C6 N2 -173.21(16) . . . . ?
N1 C1 C6 C7 7.9(3) . . . . ?
N2 C6 C7 C8 -0.9(3) . . . . ?
N2 C10 C9 C8 0.7(3) . . . . ?
C2 C1 C6 N2 6.9(3) . . . . ?
C2 C1 C6 C7 -172.04(17) . . . . ?
C4 C5 C11 N3 -16.9(3) . . . . ?
C4 C5 C11 C12 162.2(2) . . . . ?
C5 N1 C1 C2 -1.3(3) . . . . ?
C5 N1 C1 C6 178.73(15) . . . . ?
C5 C4 C3 C2 -0.5(3) . . . . ?
C5 C4 C3 C16 -178.00(16) . . . . ?
C5 C11 C12 C13 179.8(2) . . . . ?
C21 C16 C17 C18 3.5(3) . . . . ?
C21 C16 C3 C2 150.96(18) . . . . ?
C21 C16 C3 C4 -31.6(3) . . . . ?
C21 C20 C19 C18 3.5(3) . . . . ?
C21 C20 C19 C22 -172.72(16) . . . . ?
C18 C19 C22 N4 140.29(18) . . . . ?
C16 C21 C20 C19 -1.1(3) . . . . ?
C20 C21 C16 C17 -2.5(3) . . . . ?
C20 C21 C16 C3 174.34(16) . . . . ?
C20 C19 C22 N4 -43.7(3) . . . . ?
C1 N1 C5 C4 1.1(3) . . . . ?
C1 N1 C5 C11 -179.01(16) . . . . ?
C1 C2 C3 C4 0.2(3) . . . . ?
C1 C2 C3 C16 177.73(16) . . . . ?
C1 C6 C7 C8 177.90(19) . . . . ?
C17 C18 C19 C20 -2.5(3) . . . . ?
C17 C18 C19 C22 173.65(17) . . . . ?
C17 C16 C3 C2 -32.3(3) . . . . ?
C17 C16 C3 C4 145.13(18) . . . . ?
N3 C11 C12 C13 -1.2(4) . . . . ?
C3 C2 C1 N1 0.7(3) . . . . ?
C3 C2 C1 C6 -179.36(16) . . . . ?
C3 C4 C5 N1 -0.2(3) . . . . ?
C3 C4 C5 C11 179.92(16) . . . . ?
C3 C16 C17 C18 -173.49(16) . . . . ?
C19 C18 C17 C16 -1.1(3) . . . . ?
C6 N2 C10 C9 -0.3(3) . . . . ?
C6 C7 C8 C9 1.3(3) . . . . ?
C10 N2 C6 C1 -178.45(16) . . . . ?
C10 N2 C6 C7 0.4(3) . . . . ?
C10 C9 C8 C7 -1.2(3) . . . . ?
C24 N4 C22 C19 171.36(16) . . . . ?
C24 N4 C23 C24 -55.7(2) . . . 3_667 ?
C22 N4 C24 C23 179.11(16) . . . 3_667 ?
C22 N4 C23 C24 -178.16(15) . . . 3_667 ?
C23 N4 C24 C23 57.9(2) . . . 3_667 ?
C23 N4 C22 C19 -68.6(2) . . . . ?
C11 N3 C15 C14 -0.5(3) . . . . ?
C11 C12 C13 C14 -0.1(4) . . . . ?
C15 N3 C11 C5 -179.44(18) . . . . ?
C15 N3 C11 C12 1.5(3) . . . . ?
C15 C14 C13 C12 0.9(4) . . . . ?
C13 C14 C15 N3 -0.7(3) . . . . ?

_olex2_submission_original_sample_id 18marc
_olex2_submission_special_instructions 'No special instructions were received'
