# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2026

####################################################################### 
# 
# 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_CT3_01_15122025_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2531221'
loop_
_audit_author_name
_audit_author_address
'George Rajendra Kumar'
;Mizoram University
India
;
_audit_update_record             
;
2026-02-15 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H26 N2 O'
_chemical_formula_sum            'C34 H26 N2 O'
_chemical_formula_weight         478.57

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4189(6)
_cell_length_b                   9.7283(6)
_cell_length_c                   16.3395(11)
_cell_angle_alpha                79.070(3)
_cell_angle_beta                 79.629(2)
_cell_angle_gamma                81.041(3)
_cell_volume                     1282.20(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6462
_cell_measurement_theta_min      0.970
_cell_measurement_theta_max      0.991

_exptl_crystal_description       rectangle
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_F_000             504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.365
_exptl_crystal_size_min          0.123
_exptl_absorpt_coefficient_mu    0.075
_shelx_estimated_absorpt_T_min   0.970
_shelx_estimated_absorpt_T_max   0.991
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49854
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.479
_diffrn_reflns_theta_max         28.449
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6370
_reflns_number_gt                4305
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6370
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0804
_refine_ls_wR_factor_ref         0.2231
_refine_ls_wR_factor_gt          0.2057
_refine_ls_goodness_of_fit_ref   1.371
_refine_ls_restrained_S_all      1.371
_refine_ls_shift/su_max          0.108
_refine_ls_shift/su_mean         0.006

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 0.7791(2) 0.5907(2) 0.56889(14) 0.1003(8) Uani 1 1 d . . . . .
N1 N 0.1527(2) 0.70692(19) 0.83875(12) 0.0523(5) Uani 1 1 d . . . . .
N2 N 0.9226(2) -0.15180(19) 0.36079(12) 0.0552(5) Uani 1 1 d . . . . .
C1 C 1.3042(4) -0.1701(3) 0.21023(16) 0.0783(8) Uani 1 1 d . . . . .
H1 H 1.368707 -0.224429 0.172664 0.094 Uiso 1 1 calc R U . . .
C2 C 1.3529(4) -0.0454(3) 0.21969(17) 0.0795(8) Uani 1 1 d . . . . .
H21 H 1.450418 -0.018291 0.188907 0.095 Uiso 1 1 calc R U . . .
C3 C 1.2596(3) 0.0400(3) 0.27408(15) 0.0622(6) Uani 1 1 d . . . . .
H22 H 1.292980 0.124094 0.279681 0.075 Uiso 1 1 calc R U . . .
C4 C 1.1156(2) -0.0029(2) 0.31984(12) 0.0439(5) Uani 1 1 d . . . . .
C5 C 0.9879(2) 0.0573(2) 0.37978(11) 0.0383(4) Uani 1 1 d . . . . .
C6 C 0.9631(2) 0.1775(2) 0.41579(12) 0.0400(4) Uani 1 1 d . . . . .
H17 H 1.040593 0.239941 0.401800 0.048 Uiso 1 1 calc R U . . .
C7 C 0.8234(2) 0.2064(2) 0.47278(11) 0.0401(5) Uani 1 1 d . . . . .
C8 C 0.7998(2) 0.3352(2) 0.50877(12) 0.0470(5) Uani 1 1 d . . . . .
H16 H 0.884732 0.390206 0.493133 0.056 Uiso 1 1 calc R U . . .
C9 C 0.6734(2) 0.3849(2) 0.56086(13) 0.0511(5) Uani 1 1 d . . . . .
H15 H 0.584743 0.334286 0.577815 0.061 Uiso 1 1 calc R U . . .
C10 C 0.6687(3) 0.5160(3) 0.59241(14) 0.0549(6) Uani 1 1 d . . . . .
C11 C 0.5278(2) 0.5621(2) 0.65527(12) 0.0445(5) Uani 1 1 d . . . . .
C12 C 0.4257(2) 0.4698(2) 0.70672(13) 0.0481(5) Uani 1 1 d . . . . .
H12 H 0.440564 0.375444 0.700353 0.058 Uiso 1 1 calc R U . . .
C13 C 0.3030(3) 0.5167(2) 0.76684(14) 0.0506(5) Uani 1 1 d . . . . .
H11 H 0.237176 0.453358 0.801144 0.061 Uiso 1 1 calc R U . . .
C14 C 0.2763(2) 0.6582(2) 0.77688(13) 0.0450(5) Uani 1 1 d . . . . .
C15 C 0.0010(2) 0.6543(2) 0.86037(13) 0.0438(5) Uani 1 1 d . . . . .
C16 C -0.0821(3) 0.6462(3) 0.94197(15) 0.0569(6) Uani 1 1 d . . . . .
H8 H -0.037451 0.675941 0.982707 0.068 Uiso 1 1 calc R U . . .
C17 C -0.2301(3) 0.5947(3) 0.96361(19) 0.0753(8) Uani 1 1 d . . . . .
H9 H -0.284092 0.590282 1.018788 0.090 Uiso 1 1 calc R U . . .
C18 C -0.2985(3) 0.5502(3) 0.9057(2) 0.0770(8) Uani 1 1 d . . . . .
H2 H -0.397528 0.514099 0.921186 0.092 Uiso 1 1 calc R U . . .
C19 C 0.2431(3) 1.0344(3) 0.95187(17) 0.0734(8) Uani 1 1 d . . . . .
H3 H 0.264385 1.107421 0.976124 0.088 Uiso 1 1 calc R U . . .
C20 C 0.3377(3) 0.9067(3) 0.96028(17) 0.0724(7) Uani 1 1 d . . . . .
H4 H 0.423513 0.892342 0.990956 0.087 Uiso 1 1 calc R U . . .
C21 C 0.3075(3) 0.7991(3) 0.92395(15) 0.0591(6) Uani 1 1 d . . . . .
H26 H 0.372594 0.712516 0.930429 0.071 Uiso 1 1 calc R U . . .
C22 C 0.1820(2) 0.8185(2) 0.87817(12) 0.0444(5) Uani 1 1 d . . . . .
C23 C 0.0842(3) 0.9463(2) 0.87023(15) 0.0575(6) Uani 1 1 d . . . . .
H5 H -0.002765 0.960317 0.840338 0.069 Uiso 1 1 calc R U . . .
C24 C 0.1166(3) 1.0533(3) 0.90719(18) 0.0738(8) Uani 1 1 d . . . . .
H6 H 0.051167 1.139804 0.901567 0.089 Uiso 1 1 calc R U . . .
C25 C -0.0699(3) 0.6111(2) 0.80111(15) 0.0563(6) Uani 1 1 d . . . . .
H7 H -0.017189 0.616714 0.745649 0.068 Uiso 1 1 calc R U . . .
C26 C -0.2195(3) 0.5592(3) 0.82384(19) 0.0687(7) Uani 1 1 d . . . . .
H10 H -0.266306 0.530572 0.783506 0.082 Uiso 1 1 calc R U . . .
C27 C 0.5001(3) 0.7024(2) 0.66605(13) 0.0502(5) Uani 1 1 d . . . . .
H13 H 0.566633 0.765663 0.632175 0.060 Uiso 1 1 calc R U . . .
C28 C 0.3775(3) 0.7505(2) 0.72522(13) 0.0497(5) Uani 1 1 d . . . . .
H14 H 0.361901 0.845212 0.730851 0.060 Uiso 1 1 calc R U . . .
C29 C 0.8723(2) -0.0388(2) 0.40282(12) 0.0441(5) Uani 1 1 d . . . . .
C30 C 0.8333(4) -0.2681(3) 0.3646(2) 0.0974(11) Uani 1 1 d . . . . .
H18 H 0.759471 -0.279488 0.416817 0.146 Uiso 1 1 calc R U . . .
H19 H 0.907859 -0.352905 0.361144 0.146 Uiso 1 1 calc R U . . .
H20 H 0.772868 -0.249511 0.318264 0.146 Uiso 1 1 calc R U . . .
C31 C 1.0687(3) -0.1306(2) 0.31003(13) 0.0506(5) Uani 1 1 d . . . . .
C32 C 1.1629(4) -0.2149(3) 0.25506(15) 0.0693(7) Uani 1 1 d . . . . .
H23 H 1.130938 -0.299243 0.248952 0.083 Uiso 1 1 calc R U . . .
C33 C 0.7324(2) -0.0141(2) 0.46154(13) 0.0509(5) Uani 1 1 d . . . . .
H24 H 0.656332 -0.077830 0.477007 0.061 Uiso 1 1 calc R U . . .
C34 C 0.7113(2) 0.1069(2) 0.49543(13) 0.0487(5) Uani 1 1 d . . . . .
H25 H 0.619434 0.124249 0.534961 0.058 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 C10 1.230(3) . ?
N1 C14 1.407(2) . ?
N1 C15 1.411(3) . ?
N1 C22 1.435(3) . ?
N2 C31 1.375(3) . ?
N2 C29 1.377(3) . ?
N2 C30 1.439(3) . ?
C1 C32 1.367(4) . ?
C1 C2 1.383(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.387(3) . ?
C2 H21 0.9300 . ?
C3 C4 1.385(3) . ?
C3 H22 0.9300 . ?
C4 C31 1.406(3) . ?
C4 C5 1.449(3) . ?
C5 C6 1.377(3) . ?
C5 C29 1.407(3) . ?
C6 C7 1.389(3) . ?
C6 H17 0.9300 . ?
C7 C34 1.410(3) . ?
C7 C8 1.454(3) . ?
C8 C9 1.326(3) . ?
C8 H16 0.9300 . ?
C9 C10 1.456(3) . ?
C9 H15 0.9300 . ?
C10 C11 1.494(3) . ?
C11 C27 1.388(3) . ?
C11 C12 1.395(3) . ?
C12 C13 1.378(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.395(3) . ?
C13 H11 0.9300 . ?
C14 C28 1.391(3) . ?
C15 C25 1.382(3) . ?
C15 C16 1.384(3) . ?
C16 C17 1.378(3) . ?
C16 H8 0.9300 . ?
C17 C18 1.357(4) . ?
C17 H9 0.9300 . ?
C18 C26 1.376(4) . ?
C18 H2 0.9300 . ?
C19 C20 1.366(4) . ?
C19 C24 1.367(4) . ?
C19 H3 0.9300 . ?
C20 C21 1.373(3) . ?
C20 H4 0.9300 . ?
C21 C22 1.371(3) . ?
C21 H26 0.9300 . ?
C22 C23 1.378(3) . ?
C23 C24 1.382(3) . ?
C23 H5 0.9300 . ?
C24 H6 0.9300 . ?
C25 C26 1.392(3) . ?
C25 H7 0.9300 . ?
C26 H10 0.9300 . ?
C27 C28 1.372(3) . ?
C27 H13 0.9300 . ?
C28 H14 0.9300 . ?
C29 C33 1.399(3) . ?
C30 H18 0.9600 . ?
C30 H19 0.9600 . ?
C30 H20 0.9600 . ?
C31 C32 1.389(3) . ?
C32 H23 0.9300 . ?
C33 C34 1.368(3) . ?
C33 H24 0.9300 . ?
C34 H25 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
C14 N1 C15 122.51(17) . . ?
C14 N1 C22 117.81(16) . . ?
C15 N1 C22 119.63(16) . . ?
C31 N2 C29 108.39(17) . . ?
C31 N2 C30 125.3(2) . . ?
C29 N2 C30 126.2(2) . . ?
C32 C1 C2 121.2(2) . . ?
C32 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C1 C2 C3 121.5(3) . . ?
C1 C2 H21 119.3 . . ?
C3 C2 H21 119.3 . . ?
C4 C3 C2 118.3(3) . . ?
C4 C3 H22 120.8 . . ?
C2 C3 H22 120.8 . . ?
C3 C4 C31 119.4(2) . . ?
C3 C4 C5 134.1(2) . . ?
C31 C4 C5 106.40(18) . . ?
C6 C5 C29 119.43(17) . . ?
C6 C5 C4 134.66(18) . . ?
C29 C5 C4 105.90(17) . . ?
C5 C6 C7 120.74(17) . . ?
C5 C6 H17 119.6 . . ?
C7 C6 H17 119.6 . . ?
C6 C7 C34 118.34(18) . . ?
C6 C7 C8 119.38(18) . . ?
C34 C7 C8 122.26(18) . . ?
C9 C8 C7 128.8(2) . . ?
C9 C8 H16 115.6 . . ?
C7 C8 H16 115.6 . . ?
C8 C9 C10 122.3(2) . . ?
C8 C9 H15 118.9 . . ?
C10 C9 H15 118.9 . . ?
O1 C10 C9 121.6(2) . . ?
O1 C10 C11 118.5(2) . . ?
C9 C10 C11 119.87(18) . . ?
C27 C11 C12 117.77(18) . . ?
C27 C11 C10 118.84(19) . . ?
C12 C11 C10 123.33(19) . . ?
C13 C12 C11 120.8(2) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 120.8(2) . . ?
C12 C13 H11 119.6 . . ?
C14 C13 H11 119.6 . . ?
C28 C14 C13 118.42(18) . . ?
C28 C14 N1 120.28(19) . . ?
C13 C14 N1 121.28(19) . . ?
C25 C15 C16 118.1(2) . . ?
C25 C15 N1 121.43(19) . . ?
C16 C15 N1 120.46(19) . . ?
C17 C16 C15 120.8(2) . . ?
C17 C16 H8 119.6 . . ?
C15 C16 H8 119.6 . . ?
C18 C17 C16 121.1(3) . . ?
C18 C17 H9 119.5 . . ?
C16 C17 H9 119.5 . . ?
C17 C18 C26 119.2(2) . . ?
C17 C18 H2 120.4 . . ?
C26 C18 H2 120.4 . . ?
C20 C19 C24 118.9(2) . . ?
C20 C19 H3 120.6 . . ?
C24 C19 H3 120.6 . . ?
C19 C20 C21 120.7(2) . . ?
C19 C20 H4 119.7 . . ?
C21 C20 H4 119.6 . . ?
C22 C21 C20 120.5(2) . . ?
C22 C21 H26 119.8 . . ?
C20 C21 H26 119.8 . . ?
C21 C22 C23 119.4(2) . . ?
C21 C22 N1 120.38(19) . . ?
C23 C22 N1 120.21(19) . . ?
C22 C23 C24 119.2(2) . . ?
C22 C23 H5 120.4 . . ?
C24 C23 H5 120.4 . . ?
C19 C24 C23 121.3(2) . . ?
C19 C24 H6 119.4 . . ?
C23 C24 H6 119.4 . . ?
C15 C25 C26 120.5(2) . . ?
C15 C25 H7 119.8 . . ?
C26 C25 H7 119.8 . . ?
C18 C26 C25 120.3(2) . . ?
C18 C26 H10 119.9 . . ?
C25 C26 H10 119.9 . . ?
C28 C27 C11 121.9(2) . . ?
C28 C27 H13 119.1 . . ?
C11 C27 H13 119.1 . . ?
C27 C28 C14 120.3(2) . . ?
C27 C28 H14 119.8 . . ?
C14 C28 H14 119.8 . . ?
N2 C29 C33 129.15(19) . . ?
N2 C29 C5 109.75(18) . . ?
C33 C29 C5 121.09(19) . . ?
N2 C30 H18 109.5 . . ?
N2 C30 H19 109.5 . . ?
H18 C30 H19 109.5 . . ?
N2 C30 H20 109.5 . . ?
H18 C30 H20 109.5 . . ?
H19 C30 H20 109.5 . . ?
N2 C31 C32 128.8(2) . . ?
N2 C31 C4 109.55(19) . . ?
C32 C31 C4 121.6(2) . . ?
C1 C32 C31 117.9(3) . . ?
C1 C32 H23 121.0 . . ?
C31 C32 H23 121.0 . . ?
C34 C33 C29 117.79(18) . . ?
C34 C33 H24 121.1 . . ?
C29 C33 H24 121.1 . . ?
C33 C34 C7 122.56(19) . . ?
C33 C34 H25 118.7 . . ?
C7 C34 H25 118.7 . . ?

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
C32 C1 C2 C3 -0.9(4) . . . . ?
C1 C2 C3 C4 0.5(4) . . . . ?
C2 C3 C4 C31 0.1(3) . . . . ?
C2 C3 C4 C5 -178.6(2) . . . . ?
C3 C4 C5 C6 -2.1(4) . . . . ?
C31 C4 C5 C6 179.1(2) . . . . ?
C3 C4 C5 C29 179.2(2) . . . . ?
C31 C4 C5 C29 0.4(2) . . . . ?
C29 C5 C6 C7 -1.7(3) . . . . ?
C4 C5 C6 C7 179.82(19) . . . . ?
C5 C6 C7 C34 2.6(3) . . . . ?
C5 C6 C7 C8 -179.13(17) . . . . ?
C6 C7 C8 C9 176.9(2) . . . . ?
C34 C7 C8 C9 -4.9(3) . . . . ?
C7 C8 C9 C10 179.2(2) . . . . ?
C8 C9 C10 O1 3.5(4) . . . . ?
C8 C9 C10 C11 -176.1(2) . . . . ?
O1 C10 C11 C27 19.1(3) . . . . ?
C9 C10 C11 C27 -161.3(2) . . . . ?
O1 C10 C11 C12 -158.1(2) . . . . ?
C9 C10 C11 C12 21.5(3) . . . . ?
C27 C11 C12 C13 -0.8(3) . . . . ?
C10 C11 C12 C13 176.39(19) . . . . ?
C11 C12 C13 C14 1.0(3) . . . . ?
C12 C13 C14 C28 -0.6(3) . . . . ?
C12 C13 C14 N1 -179.20(18) . . . . ?
C15 N1 C14 C28 144.9(2) . . . . ?
C22 N1 C14 C28 -32.5(3) . . . . ?
C15 N1 C14 C13 -36.5(3) . . . . ?
C22 N1 C14 C13 146.1(2) . . . . ?
C14 N1 C15 C25 -33.0(3) . . . . ?
C22 N1 C15 C25 144.3(2) . . . . ?
C14 N1 C15 C16 147.8(2) . . . . ?
C22 N1 C15 C16 -34.9(3) . . . . ?
C25 C15 C16 C17 0.9(3) . . . . ?
N1 C15 C16 C17 -179.9(2) . . . . ?
C15 C16 C17 C18 0.1(4) . . . . ?
C16 C17 C18 C26 -1.1(4) . . . . ?
C24 C19 C20 C21 0.6(4) . . . . ?
C19 C20 C21 C22 0.3(4) . . . . ?
C20 C21 C22 C23 -1.3(3) . . . . ?
C20 C21 C22 N1 178.7(2) . . . . ?
C14 N1 C22 C21 -61.8(3) . . . . ?
C15 N1 C22 C21 120.7(2) . . . . ?
C14 N1 C22 C23 118.2(2) . . . . ?
C15 N1 C22 C23 -59.3(3) . . . . ?
C21 C22 C23 C24 1.3(3) . . . . ?
N1 C22 C23 C24 -178.6(2) . . . . ?
C20 C19 C24 C23 -0.5(4) . . . . ?
C22 C23 C24 C19 -0.4(4) . . . . ?
C16 C15 C25 C26 -0.9(3) . . . . ?
N1 C15 C25 C26 179.88(19) . . . . ?
C17 C18 C26 C25 1.1(4) . . . . ?
C15 C25 C26 C18 -0.1(4) . . . . ?
C12 C11 C27 C28 0.3(3) . . . . ?
C10 C11 C27 C28 -177.07(19) . . . . ?
C11 C27 C28 C14 0.1(3) . . . . ?
C13 C14 C28 C27 0.0(3) . . . . ?
N1 C14 C28 C27 178.67(19) . . . . ?
C31 N2 C29 C33 -179.4(2) . . . . ?
C30 N2 C29 C33 4.4(4) . . . . ?
C31 N2 C29 C5 -0.5(2) . . . . ?
C30 N2 C29 C5 -176.7(2) . . . . ?
C6 C5 C29 N2 -178.85(17) . . . . ?
C4 C5 C29 N2 0.1(2) . . . . ?
C6 C5 C29 C33 0.1(3) . . . . ?
C4 C5 C29 C33 179.05(18) . . . . ?
C29 N2 C31 C32 -178.5(2) . . . . ?
C30 N2 C31 C32 -2.3(4) . . . . ?
C29 N2 C31 C4 0.8(2) . . . . ?
C30 N2 C31 C4 177.0(2) . . . . ?
C3 C4 C31 N2 -179.73(19) . . . . ?
C5 C4 C31 N2 -0.7(2) . . . . ?
C3 C4 C31 C32 -0.4(3) . . . . ?
C5 C4 C31 C32 178.65(19) . . . . ?
C2 C1 C32 C31 0.6(4) . . . . ?
N2 C31 C32 C1 179.3(2) . . . . ?
C4 C31 C32 C1 0.0(4) . . . . ?
N2 C29 C33 C34 179.14(19) . . . . ?
C5 C29 C33 C34 0.4(3) . . . . ?
C29 C33 C34 C7 0.6(3) . . . . ?
C6 C7 C34 C33 -2.1(3) . . . . ?
C8 C7 C34 C33 179.67(19) . . . . ?

_refine_diff_density_max         0.198
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.045

####################################################################### 
# 
# 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_CT1_01_28112025_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2531372'
loop_
_audit_author_name
_audit_author_address
'George Rajendra Kumar'
;Mizoram University
India
;
_audit_update_record             
;
2026-02-15 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;
_audit_creation_date             2026-02-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_chemical_formula_moiety         '2(C34 H26 N2 O)'
_chemical_formula_sum            'C68 H52 N4 O2'
_chemical_formula_weight         957.196
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   8.6028
_cell_length_b                   9.6724
_cell_length_c                   15.9684
_cell_angle_alpha                90.14
_cell_angle_beta                 96.18
_cell_angle_gamma                106.653
_cell_volume                     1264.825272
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9821
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.51
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6966
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1084 before and 0.0552 after correction.
The Ratio of minimum to maximum transmission is 0.9342.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_description       rectangle
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_F_000             504.204
_diffrn_ambient_temperature      296(2)
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.9974
_diffrn_reflns_Laue_measured_fraction_max 0.9968
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6311
_diffrn_reflns_point_group_measured_fraction_full 0.9974
_diffrn_reflns_point_group_measured_fraction_max 0.9968
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.20
_diffrn_measured_fraction_theta_full 0.9974
_diffrn_measured_fraction_theta_max 0.9968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source_current           20.0
_diffrn_source_power             1.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_gt                5166
_reflns_number_total             6311
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.2525
_refine_diff_density_min         -0.2141
_refine_diff_density_rms         0.0435
_refine_ls_d_res_high            0.7478
_refine_ls_d_res_low             9.2611
_refine_ls_goodness_of_fit_ref   1.5573
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    42
_refine_ls_number_parameters     351
_refine_ls_number_reflns         6311
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0510
_refine_ls_restrained_S_all      1.5573
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1838
_refine_ls_wR_factor_ref         0.1968
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C12(H12), C19(H19), C20(H20), C26(H26), C30(H30), C34(H34),
 C22(H22), C17(H17), C25(H25), C31(H31), C11(H11), C21(H21), C37(H37), C29(H29),
  C28(H28), C14(H14), C24(H24)
2.b Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
C2 C 0.99779(14) 0.53311(11) 0.17734(7) 0.0480(3) Uani 1.000000 .
N3 N 0.05068(13) 0.10798(13) 0.60536(7) 0.0625(3) Uani 1.000000 .
C5 C 0.30422(14) 0.09690(13) 0.58357(7) 0.0532(3) Uani 1.000000 .
C9 C 0.79745(15) 0.66014(12) 0.19018(7) 0.0512(3) Uani 1.000000 .
H9 H 0.75032(15) 0.73155(12) 0.17162(7) 0.0614(3) Uiso 1.000000 R
C10 C 0.92527(15) 0.63909(12) 0.15053(8) 0.0519(3) Uani 1.000000 .
H10 H 0.96251(15) 0.69609(12) 0.10588(8) 0.0623(3) Uiso 1.000000 R
C12 C 0.81943(16) 0.47704(14) 0.28627(8) 0.0553(3) Uani 1.000000 .
H12 H 0.78711(16) 0.42422(14) 0.33318(8) 0.0663(4) Uiso 1.000000 R
C15 C 0.73833(13) 0.57670(12) 0.25711(7) 0.0457(3) Uani 1.000000 .
C16 C 0.17052(16) 0.04290(14) 0.63057(8) 0.0585(3) Uani 1.000000 .
C18 C 0.27631(14) 0.39674(14) 0.43413(7) 0.0522(3) Uani 1.000000 .
C19 C 0.94551(16) 0.45503(14) 0.24751(8) 0.0570(3) Uani 1.000000 .
H19 H 0.99664(16) 0.38743(14) 0.26821(8) 0.0685(4) Uiso 1.000000 R
C20 C 0.34682(13) 0.29728(13) 0.47264(7) 0.0503(3) Uani 1.000000 .
H20 H 0.44948(13) 0.29444(13) 0.46095(7) 0.0604(3) Uiso 1.000000 R
C23 C 0.10538(14) 0.20573(15) 0.54487(8) 0.0555(3) Uani 1.000000 .
C26 C 0.44183(17) 0.04887(15) 0.60003(9) 0.0633(3) Uani 1.000000 .
H26 H 0.53119(17) 0.08361(15) 0.57006(9) 0.0760(4) Uiso 1.000000 R
C27 C 0.26310(14) 0.20191(13) 0.52879(7) 0.0500(3) Uani 1.000000 .
C30 C 0.03107(15) 0.30117(17) 0.50467(9) 0.0647(4) Uani 1.000000 .
H30 H -0.07400(15) 0.30083(17) 0.51378(9) 0.0777(4) Uiso 1.000000 R
C34 C 0.11815(15) 0.39634(16) 0.45084(8) 0.0620(3) Uani 1.000000 .
H34 H 0.07125(15) 0.46273(16) 0.42453(8) 0.0743(4) Uiso 1.000000 R
O6 O 0.30999(13) 0.61319(12) 0.36055(8) 0.0778(3) Uani 1.000000 .
C4 C 0.59446(13) 0.58962(13) 0.29435(7) 0.0489(3) Uani 1.000000 .
C7 C 1.11974(14) 0.35322(11) 0.13006(7) 0.0471(3) Uani 1.000000 .
N2 N 1.12014(13) 0.50070(10) 0.13552(7) 0.0578(3) Uani 1.000000 .
C22 C 1.31357(16) 0.74205(13) 0.14486(9) 0.0597(3) Uani 1.000000 .
H22 H 1.27618(16) 0.76270(13) 0.19458(9) 0.0717(4) Uiso 1.000000 R
C1 C -0.10181(18) 0.0867(2) 0.64188(11) 0.0823(5) Uani 1.000000 .
H1a H -0.1453(8) -0.0134(3) 0.6536(8) 0.1235(7) Uiso 1.000000 GR
H1b H -0.0821(3) 0.1439(11) 0.6933(5) 0.1235(7) Uiso 1.000000 GR
H1c H -0.1786(6) 0.1157(14) 0.6029(4) 0.1235(7) Uiso 1.000000 GR
C17 C 0.9819(2) 0.10508(15) 0.09410(11) 0.0746(4) Uani 1.000000 .
H17 H 0.8877(2) 0.03372(15) 0.07316(11) 0.0895(5) Uiso 1.000000 R
C25 C 0.4440(2) -0.05060(18) 0.66114(11) 0.0770(4) Uani 1.000000 .
H25 H 0.5350(2) -0.08421(18) 0.67186(11) 0.0924(5) Uiso 1.000000 R
C32 C 1.49572(19) 0.81559(18) 0.03805(13) 0.0793(5) Uani 1.000000 .
C31 C 0.1737(2) -0.05702(17) 0.69262(9) 0.0725(4) Uani 1.000000 .
H31 H 0.0854(2) -0.09246(17) 0.72324(9) 0.0870(5) Uiso 1.000000 R
C11 C 1.2578(2) 0.17131(17) 0.15160(9) 0.0701(4) Uani 1.000000 .
H11 H 1.3523(2) 0.14603(17) 0.16914(9) 0.0841(5) Uiso 1.000000 R
C21 C 0.97970(16) 0.24801(14) 0.09761(9) 0.0599(3) Uani 1.000000 .
H21 H 0.88551(16) 0.27266(14) 0.07844(9) 0.0719(4) Uiso 1.000000 R
C37 C 0.3119(2) -0.10164(18) 0.70716(10) 0.0803(5) Uani 1.000000 .
H37 H 0.3173(2) -0.16764(18) 0.74884(10) 0.0963(5) Uiso 1.000000 R
C3 C 0.50900(15) 0.49435(14) 0.34414(7) 0.0536(3) Uani 1.000000 .
C13 C 0.36142(14) 0.50970(14) 0.37792(8) 0.0538(3) Uani 1.000000 .
C8 C 1.25879(17) 0.31473(14) 0.15710(8) 0.0581(3) Uani 1.000000 .
C29 C 1.43174(19) 0.68186(18) -0.00126(10) 0.0733(4) Uani 1.000000 .
H29 H 1.47243(19) 0.66060(18) -0.04981(10) 0.0879(5) Uiso 1.000000 R
C28 C 1.43737(18) 0.84477(15) 0.11124(12) 0.0759(4) Uani 1.000000 .
H28 H 1.48170(18) 0.93474(15) 0.13852(12) 0.0910(5) Uiso 1.000000 R
C14 C 1.1201(2) 0.06756(14) 0.12088(10) 0.0740(4) Uani 1.000000 .
H14 H 1.1198(2) -0.02856(14) 0.11807(10) 0.0888(5) Uiso 1.000000 R
C24 C 1.30791(16) 0.57891(14) 0.03053(8) 0.0596(3) Uani 1.000000 .
H24 H 1.26518(16) 0.48901(14) 0.00297(8) 0.0715(4) Uiso 1.000000 R
C6 C 1.24593(14) 0.60797(12) 0.10352(7) 0.0478(3) Uani 1.000000 .
H8 H 1.347(2) 0.3835(19) 0.1755(10) 0.078(5) Uiso 1.000000 .
H3 H 0.548(2) 0.4057(18) 0.3583(10) 0.076(5) Uiso 1.000000 .
H4 H 0.5661(19) 0.6809(17) 0.2792(9) 0.067(4) Uiso 1.000000 .
H32 H 1.581(3) 0.885(2) 0.0056(13) 0.113(6) Uiso 1.000000 .


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
C2 C10 1.3909(16) . ?
C2 C19 1.3951(15) . ?
C2 N2 1.4112(13) . ?
N3 C16 1.3802(18) . ?
N3 C23 1.3768(17) . ?
N3 C1 1.4540(15) . ?
C5 C16 1.4150(16) . ?
C5 C26 1.3911(18) . ?
C5 C27 1.4372(18) . ?
C9 H9 0.9300 . ?
C9 C10 1.3889(16) . ?
C9 C15 1.3922(15) . ?
C10 H10 0.9300 . ?
C12 H12 0.9300 . ?
C12 C15 1.3966(16) . ?
C12 C19 1.3715(15) . ?
C15 C4 1.4655(15) . ?
C16 C31 1.389(2) . ?
C18 C20 1.3887(17) . ?
C18 C34 1.4134(16) . ?
C18 C13 1.4910(18) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C27 1.3914(16) . ?
C23 C27 1.4184(15) . ?
C23 C30 1.388(2) . ?
C26 H26 0.9300 . ?
C26 C25 1.375(2) . ?
C30 H30 0.9300 . ?
C30 C34 1.376(2) . ?
C34 H34 0.9300 . ?
O6 C13 1.2261(16) . ?
C4 C3 1.3278(17) . ?
C4 H4 1.005(15) . ?
C7 N2 1.4280(13) . ?
C7 C21 1.3841(18) . ?
C7 C8 1.3787(17) . ?
N2 C6 1.4095(15) . ?
C22 H22 0.9300 . ?
C22 C28 1.389(2) . ?
C22 C6 1.3917(17) . ?
C1 H1a 0.9600 . ?
C1 H1b 0.9600 . ?
C1 H1c 0.9600 . ?
C17 H17 0.9300 . ?
C17 C21 1.3890(19) . ?
C17 C14 1.366(2) . ?
C25 H25 0.9300 . ?
C25 C37 1.391(2) . ?
C32 C29 1.372(3) . ?
C32 C28 1.380(3) . ?
C32 H32 1.03(2) . ?
C31 H31 0.9300 . ?
C31 C37 1.375(2) . ?
C11 H11 0.9300 . ?
C11 C8 1.3872(19) . ?
C11 C14 1.357(2) . ?
C21 H21 0.9300 . ?
C37 H37 0.9300 . ?
C3 C13 1.4765(16) . ?
C3 H3 1.022(16) . ?
C8 H8 0.876(18) . ?
C29 H29 0.9300 . ?
C29 C24 1.3766(19) . ?
C28 H28 0.9300 . ?
C14 H14 0.9300 . ?
C24 H24 0.9300 . ?
C24 C6 1.3929(17) . ?

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
C19 C2 C10 118.47(10) . . ?
N2 C2 C10 122.43(10) . . ?
N2 C2 C19 119.10(10) . . ?
C23 N3 C16 108.69(10) . . ?
C1 N3 C16 125.69(13) . . ?
C1 N3 C23 125.40(13) . . ?
C26 C5 C16 119.17(12) . . ?
C27 C5 C16 106.60(11) . . ?
C27 C5 C26 134.14(11) . . ?
C10 C9 H9 119.28(6) . . ?
C15 C9 H9 119.28(6) . . ?
C15 C9 C10 121.44(10) . . ?
C9 C10 C2 120.27(10) . . ?
H10 C10 C2 119.86(7) . . ?
H10 C10 C9 119.86(6) . . ?
C15 C12 H12 119.14(7) . . ?
C19 C12 H12 119.14(7) . . ?
C19 C12 C15 121.72(11) . . ?
C12 C15 C9 117.25(10) . . ?
C4 C15 C9 121.69(10) . . ?
C4 C15 C12 121.05(10) . . ?
C5 C16 N3 109.12(12) . . ?
C31 C16 N3 129.39(13) . . ?
C31 C16 C5 121.46(14) . . ?
C34 C18 C20 119.24(12) . . ?
C13 C18 C20 123.42(10) . . ?
C13 C18 C34 117.29(12) . . ?
C12 C19 C2 120.63(10) . . ?
H19 C19 C2 119.69(6) . . ?
H19 C19 C12 119.69(7) . . ?
H20 C20 C18 120.17(7) . . ?
C27 C20 C18 119.67(10) . . ?
C27 C20 H20 120.17(7) . . ?
C27 C23 N3 109.24(12) . . ?
C30 C23 N3 129.31(11) . . ?
C30 C23 C27 121.40(12) . . ?
H26 C26 C5 120.42(7) . . ?
C25 C26 C5 119.16(13) . . ?
C25 C26 H26 120.42(9) . . ?
C20 C27 C5 133.97(10) . . ?
C23 C27 C5 106.32(10) . . ?
C23 C27 C20 119.56(12) . . ?
H30 C30 C23 121.13(7) . . ?
C34 C30 C23 117.74(11) . . ?
C34 C30 H30 121.13(8) . . ?
C30 C34 C18 122.33(13) . . ?
H34 C34 C18 118.84(8) . . ?
H34 C34 C30 118.84(8) . . ?
C3 C4 C15 125.18(11) . . ?
H4 C4 C15 112.9(9) . . ?
H4 C4 C3 122.0(9) . . ?
C21 C7 N2 120.19(11) . . ?
C8 C7 N2 120.21(11) . . ?
C8 C7 C21 119.60(11) . . ?
C7 N2 C2 117.77(9) . . ?
C6 N2 C2 122.76(9) . . ?
C6 N2 C7 119.38(9) . . ?
C28 C22 H22 120.27(9) . . ?
C6 C22 H22 120.27(7) . . ?
C6 C22 C28 119.45(13) . . ?
H1a C1 N3 109.5 . . ?
H1b C1 N3 109.5 . . ?
H1b C1 H1a 109.5 . . ?
H1c C1 N3 109.5 . . ?
H1c C1 H1a 109.5 . . ?
H1c C1 H1b 109.5 . . ?
C21 C17 H17 119.44(9) . . ?
C14 C17 H17 119.44(8) . . ?
C14 C17 C21 121.12(14) . . ?
H25 C25 C26 119.57(9) . . ?
C37 C25 C26 120.85(16) . . ?
C37 C25 H25 119.57(10) . . ?
C28 C32 C29 119.22(13) . . ?
H32 C32 C29 112.8(12) . . ?
H32 C32 C28 127.9(12) . . ?
H31 C31 C16 121.18(9) . . ?
C37 C31 C16 117.64(14) . . ?
C37 C31 H31 121.18(9) . . ?
C8 C11 H11 119.69(9) . . ?
C14 C11 H11 119.69(8) . . ?
C14 C11 C8 120.62(14) . . ?
C17 C21 C7 119.04(13) . . ?
H21 C21 C7 120.48(7) . . ?
H21 C21 C17 120.48(9) . . ?
C31 C37 C25 121.70(15) . . ?
H37 C37 C25 119.15(10) . . ?
H37 C37 C31 119.15(9) . . ?
C13 C3 C4 123.21(11) . . ?
H3 C3 C4 117.4(9) . . ?
H3 C3 C13 119.4(9) . . ?
O6 C13 C18 120.55(11) . . ?
C3 C13 C18 118.53(11) . . ?
C3 C13 O6 120.92(12) . . ?
C11 C8 C7 119.98(13) . . ?
H8 C8 C7 118.0(11) . . ?
H8 C8 C11 122.0(11) . . ?
H29 C29 C32 119.69(9) . . ?
C24 C29 C32 120.61(14) . . ?
C24 C29 H29 119.69(9) . . ?
C32 C28 C22 121.12(14) . . ?
H28 C28 C22 119.44(9) . . ?
H28 C28 C32 119.44(9) . . ?
C11 C14 C17 119.64(12) . . ?
H14 C14 C17 120.18(8) . . ?
H14 C14 C11 120.18(8) . . ?
H24 C24 C29 119.66(9) . . ?
C6 C24 C29 120.69(13) . . ?
C6 C24 H24 119.66(7) . . ?
C22 C6 N2 121.26(10) . . ?
C24 C6 N2 119.85(11) . . ?
C24 C6 C22 118.86(11) . . ?

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
C2 C10 C9 C15 -0.12(14) . . . . ?
C2 C19 C12 C15 0.42(15) . . . . ?
C2 N2 C7 C21 53.34(13) . . . . ?
C2 N2 C7 C8 -126.64(11) . . . . ?
C2 N2 C6 C22 35.08(15) . . . . ?
C2 N2 C6 C24 -146.83(13) . . . . ?
N3 C16 C5 C26 178.36(11) . . . . ?
N3 C16 C5 C27 1.27(11) . . . . ?
N3 C16 C31 C37 -177.88(16) . . . . ?
N3 C23 C27 C5 -0.59(11) . . . . ?
N3 C23 C27 C20 -176.77(10) . . . . ?
N3 C23 C30 C34 174.94(15) . . . . ?
C5 C16 C31 C37 0.21(15) . . . . ?
C5 C26 C25 C37 -0.95(17) . . . . ?
C5 C27 C20 C18 -173.77(14) . . . . ?
C5 C27 C23 C30 177.27(10) . . . . ?
C9 C15 C12 C19 -4.09(13) . . . . ?
C9 C15 C4 C3 163.98(12) . . . . ?
C12 C15 C4 C3 -14.42(14) . . . . ?
C15 C4 C3 C13 -177.90(11) . . . . ?
C16 C31 C37 C25 -0.72(17) . . . . ?
C18 C20 C27 C23 1.12(13) . . . . ?
C18 C34 C30 C23 1.68(15) . . . . ?
C18 C13 C3 C4 -179.29(11) . . . . ?
C20 C27 C23 C30 1.10(13) . . . . ?
C26 C25 C37 C31 1.1(2) . . . . ?
O6 C13 C3 C4 0.43(15) . . . . ?
C7 N2 C6 C22 -141.36(11) . . . . ?
C7 N2 C6 C24 36.73(14) . . . . ?
C7 C21 C17 C14 -0.98(16) . . . . ?
C7 C8 C11 C14 -0.95(15) . . . . ?
N2 C6 C22 C28 179.98(13) . . . . ?
N2 C6 C24 C29 -179.42(14) . . . . ?
C22 C28 C32 C29 -1.04(18) . . . . ?
C22 C6 C24 C29 -1.28(14) . . . . ?
C17 C14 C11 C8 0.87(18) . . . . ?
C32 C29 C24 C6 -0.49(18) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2

_olex2_submission_special_instructions 'No special instructions were received'
