# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2474099'
loop_
_audit_author_name
_audit_author_address
'MALLI M.BHANUCHANDRA'
;Central University of Rajasthan 
India
;
_audit_update_record             
;
2025-07-19 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        '4-phenylpyrazole-dibenzofuran 6a'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H20 N4 O'
_chemical_formula_sum            'C30 H20 N4 O'
_chemical_formula_weight         452.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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                   9.40300(10)
_cell_length_b                   10.11640(10)
_cell_length_c                   13.04550(10)
_cell_angle_alpha                83.04
_cell_angle_beta                 69.0690(10)
_cell_angle_gamma                69.0030(10)
_cell_volume                     1082.06(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    33299
_cell_measurement_theta_min      3.6050
_cell_measurement_theta_max      74.0460

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             472
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.685
_shelx_estimated_absorpt_T_min   0.910
_shelx_estimated_absorpt_T_max   0.941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38993
_diffrn_reflns_av_unetI/netI     0.0052
_diffrn_reflns_av_R_equivalents  0.0142
_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       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.628
_diffrn_reflns_theta_max         74.751
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4211
_reflns_number_gt                4151
_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       'CrysAlisPro 1.171.43.108a (Rigaku OD, 2024)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.108a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.108a (Rigaku OD, 2024)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_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)+(0.0370P)²+0.3969P] 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         4211
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0809
_refine_ls_wR_factor_gt          0.0807
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.16651(13) 0.50412(11) 0.57877(9) 0.0237(2) Uani 1 1 d . . . . .
C2 C 0.27893(12) 0.55430(11) 0.49785(8) 0.0218(2) Uani 1 1 d . . . . .
C3 C 0.31601(12) 0.66593(11) 0.52264(9) 0.0223(2) Uani 1 1 d . . . . .
H3 H 0.393584 0.700920 0.469471 0.027 Uiso 1 1 calc R U . . .
C4 C 0.23575(12) 0.72396(11) 0.62751(9) 0.0221(2) Uani 1 1 d . . . . .
C5 C 0.12320(13) 0.67159(11) 0.70729(9) 0.0255(2) Uani 1 1 d . . . . .
H5 H 0.071060 0.713205 0.778520 0.031 Uiso 1 1 calc R U . . .
C6 C 0.08694(13) 0.56013(12) 0.68378(9) 0.0264(2) Uani 1 1 d . . . . .
H6 H 0.010936 0.523843 0.737315 0.032 Uiso 1 1 calc R U . . .
C7 C 0.32972(12) 0.46873(11) 0.40083(9) 0.0222(2) Uani 1 1 d . . . . .
C8 C 0.24403(13) 0.37418(11) 0.43298(9) 0.0242(2) Uani 1 1 d . . . . .
C9 C 0.25850(14) 0.27336(12) 0.36399(9) 0.0279(2) Uani 1 1 d . . . . .
H9 H 0.198688 0.210424 0.388342 0.034 Uiso 1 1 calc R U . . .
C10 C 0.36422(14) 0.26848(11) 0.25780(9) 0.0265(2) Uani 1 1 d . . . . .
H10 H 0.379306 0.199688 0.207829 0.032 Uiso 1 1 calc R U . . .
C11 C 0.44970(12) 0.36378(11) 0.22269(9) 0.0228(2) Uani 1 1 d . . . . .
C12 C 0.43474(12) 0.46452(11) 0.29283(9) 0.0224(2) Uani 1 1 d . . . . .
H12 H 0.493638 0.528165 0.268340 0.027 Uiso 1 1 calc R U . . .
C13 C 0.34819(13) 1.01652(12) 0.62981(9) 0.0259(2) Uani 1 1 d . . . . .
H13 H 0.396926 1.085320 0.595299 0.031 Uiso 1 1 calc R U . . .
C14 C 0.26787(12) 1.01258(11) 0.74397(9) 0.0223(2) Uani 1 1 d . . . . .
C15 C 0.21699(13) 0.89791(11) 0.75655(8) 0.0226(2) Uani 1 1 d . . . . .
H15 H 0.158312 0.864751 0.823826 0.027 Uiso 1 1 calc R U . . .
C16 C 0.24013(12) 1.10792(11) 0.83100(9) 0.0221(2) Uani 1 1 d . . . . .
C17 C 0.24083(13) 1.24623(11) 0.80770(9) 0.0242(2) Uani 1 1 d . . . . .
H17 H 0.262351 1.278415 0.734060 0.029 Uiso 1 1 calc R U . . .
C18 C 0.21058(13) 1.33758(12) 0.89044(9) 0.0265(2) Uani 1 1 d . . . . .
H18 H 0.211060 1.431414 0.873145 0.032 Uiso 1 1 calc R U . . .
C19 C 0.17964(13) 1.29157(12) 0.99846(9) 0.0267(2) Uani 1 1 d . . . . .
H19 H 0.157876 1.354026 1.055257 0.032 Uiso 1 1 calc R U . . .
C20 C 0.18073(13) 1.15370(12) 1.02289(9) 0.0274(2) Uani 1 1 d . . . . .
H20 H 0.161445 1.121347 1.096430 0.033 Uiso 1 1 calc R U . . .
C21 C 0.20990(13) 1.06308(11) 0.94016(9) 0.0258(2) Uani 1 1 d . . . . .
H21 H 0.209350 0.969329 0.957866 0.031 Uiso 1 1 calc R U . . .
C22 C 0.54796(13) 0.29704(11) 0.02584(9) 0.0240(2) Uani 1 1 d . . . . .
H22 H 0.459977 0.271704 0.025785 0.029 Uiso 1 1 calc R U . . .
C23 C 0.68764(12) 0.28511(11) -0.06164(9) 0.0219(2) Uani 1 1 d . . . . .
C24 C 0.77589(13) 0.33817(11) -0.01951(9) 0.0246(2) Uani 1 1 d . . . . .
H24 H 0.878952 0.344934 -0.061380 0.029 Uiso 1 1 calc R U . . .
C25 C 0.73609(12) 0.21946(10) -0.16900(8) 0.0216(2) Uani 1 1 d . . . . .
C26 C 0.64145(13) 0.15154(11) -0.18829(9) 0.0248(2) Uani 1 1 d . . . . .
H26 H 0.544134 0.150184 -0.132073 0.030 Uiso 1 1 calc R U . . .
C27 C 0.68799(13) 0.08644(12) -0.28818(9) 0.0267(2) Uani 1 1 d . . . . .
H27 H 0.621475 0.042428 -0.300375 0.032 Uiso 1 1 calc R U . . .
C28 C 0.83119(14) 0.08510(12) -0.37057(9) 0.0270(2) Uani 1 1 d . . . . .
H28 H 0.863871 0.039067 -0.438643 0.032 Uiso 1 1 calc R U . . .
C29 C 0.92606(14) 0.15153(12) -0.35264(9) 0.0289(2) Uani 1 1 d . . . . .
H29 H 1.024322 0.150900 -0.408689 0.035 Uiso 1 1 calc R U . . .
C30 C 0.87840(13) 0.21910(12) -0.25319(9) 0.0259(2) Uani 1 1 d . . . . .
H30 H 0.943638 0.265651 -0.242414 0.031 Uiso 1 1 calc R U . . .
N1 N 0.26561(11) 0.84094(9) 0.65583(7) 0.02234(19) Uani 1 1 d . . . . .
N2 N 0.34792(11) 0.91308(10) 0.57604(7) 0.0264(2) Uani 1 1 d . . . . .
N3 N 0.55772(11) 0.35118(9) 0.11207(7) 0.02256(19) Uani 1 1 d . . . . .
N4 N 0.69872(11) 0.37765(10) 0.08539(7) 0.0252(2) Uani 1 1 d . . . . .
O1 O 0.14414(9) 0.39351(8) 0.54148(6) 0.02722(18) Uani 1 1 d . . . . .


_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
C1 O1 1.3809(12) . ?
C1 C6 1.3818(15) . ?
C1 C2 1.3954(15) . ?
C2 C3 1.3974(14) . ?
C2 C7 1.4548(14) . ?
C3 C4 1.3875(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.4018(15) . ?
C4 N1 1.4262(13) . ?
C5 C6 1.3841(15) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.3973(15) . ?
C7 C8 1.3978(15) . ?
C8 C9 1.3799(15) . ?
C8 O1 1.3818(13) . ?
C9 C10 1.3811(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.4038(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.3881(14) . ?
C11 N3 1.4265(14) . ?
C12 H12 0.9500 . ?
C13 N2 1.3296(14) . ?
C13 C14 1.4119(15) . ?
C13 H13 0.9500 . ?
C14 C15 1.3773(15) . ?
C14 C16 1.4699(14) . ?
C15 N1 1.3540(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.3972(15) . ?
C16 C21 1.4005(15) . ?
C17 C18 1.3907(15) . ?
C17 H17 0.9500 . ?
C18 C19 1.3900(16) . ?
C18 H18 0.9500 . ?
C19 C20 1.3898(16) . ?
C19 H19 0.9500 . ?
C20 C21 1.3887(15) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 N3 1.3538(13) . ?
C22 C23 1.3751(15) . ?
C22 H22 0.9500 . ?
C23 C24 1.4126(14) . ?
C23 C25 1.4707(14) . ?
C24 N4 1.3318(14) . ?
C24 H24 0.9500 . ?
C25 C30 1.3943(15) . ?
C25 C26 1.4026(15) . ?
C26 C27 1.3847(15) . ?
C26 H26 0.9500 . ?
C27 C28 1.3874(16) . ?
C27 H27 0.9500 . ?
C28 C29 1.3852(16) . ?
C28 H28 0.9500 . ?
C29 C30 1.3897(15) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
N1 N2 1.3639(12) . ?
N3 N4 1.3612(12) . ?

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 C1 C6 124.39(10) . . ?
O1 C1 C2 112.27(9) . . ?
C6 C1 C2 123.34(10) . . ?
C1 C2 C3 119.42(10) . . ?
C1 C2 C7 105.29(9) . . ?
C3 C2 C7 135.29(10) . . ?
C4 C3 C2 117.78(10) . . ?
C4 C3 H3 121.1 . . ?
C2 C3 H3 121.1 . . ?
C3 C4 C5 121.65(10) . . ?
C3 C4 N1 119.92(9) . . ?
C5 C4 N1 118.42(9) . . ?
C6 C5 C4 120.96(10) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C1 C6 C5 116.85(10) . . ?
C1 C6 H6 121.6 . . ?
C5 C6 H6 121.6 . . ?
C12 C7 C8 119.36(9) . . ?
C12 C7 C2 135.32(10) . . ?
C8 C7 C2 105.32(9) . . ?
C9 C8 O1 124.27(10) . . ?
C9 C8 C7 123.63(10) . . ?
O1 C8 C7 112.10(9) . . ?
C8 C9 C10 116.70(10) . . ?
C8 C9 H9 121.7 . . ?
C10 C9 H9 121.7 . . ?
C9 C10 C11 120.90(10) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 121.96(10) . . ?
C12 C11 N3 120.45(9) . . ?
C10 C11 N3 117.56(9) . . ?
C11 C12 C7 117.43(10) . . ?
C11 C12 H12 121.3 . . ?
C7 C12 H12 121.3 . . ?
N2 C13 C14 112.40(9) . . ?
N2 C13 H13 123.8 . . ?
C14 C13 H13 123.8 . . ?
C15 C14 C13 103.80(9) . . ?
C15 C14 C16 126.86(10) . . ?
C13 C14 C16 129.34(10) . . ?
N1 C15 C14 107.71(9) . . ?
N1 C15 H15 126.1 . . ?
C14 C15 H15 126.1 . . ?
C17 C16 C21 118.07(10) . . ?
C17 C16 C14 121.14(10) . . ?
C21 C16 C14 120.78(9) . . ?
C18 C17 C16 121.15(10) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C17 119.99(10) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 119.63(10) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 120.21(10) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C16 120.94(10) . . ?
C20 C21 H21 119.5 . . ?
C16 C21 H21 119.5 . . ?
N3 C22 C23 108.06(9) . . ?
N3 C22 H22 126.0 . . ?
C23 C22 H22 126.0 . . ?
C22 C23 C24 103.45(9) . . ?
C22 C23 C25 126.89(10) . . ?
C24 C23 C25 129.42(10) . . ?
N4 C24 C23 112.58(9) . . ?
N4 C24 H24 123.7 . . ?
C23 C24 H24 123.7 . . ?
C30 C25 C26 118.06(10) . . ?
C30 C25 C23 121.51(9) . . ?
C26 C25 C23 120.40(9) . . ?
C27 C26 C25 120.88(10) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C26 C27 C28 120.39(10) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 119.37(10) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C28 C29 C30 120.42(10) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 120.87(10) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
C15 N1 N2 111.74(8) . . ?
C15 N1 C4 128.00(9) . . ?
N2 N1 C4 120.23(8) . . ?
C13 N2 N1 104.35(9) . . ?
C22 N3 N4 111.67(9) . . ?
C22 N3 C11 126.80(9) . . ?
N4 N3 C11 121.01(8) . . ?
C24 N4 N3 104.22(8) . . ?
C1 O1 C8 105.02(8) . . ?

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
O1 C1 C2 C3 -179.67(9) . . . . ?
C6 C1 C2 C3 0.62(16) . . . . ?
O1 C1 C2 C7 0.84(12) . . . . ?
C6 C1 C2 C7 -178.87(10) . . . . ?
C1 C2 C3 C4 -1.19(15) . . . . ?
C7 C2 C3 C4 178.11(11) . . . . ?
C2 C3 C4 C5 1.17(15) . . . . ?
C2 C3 C4 N1 -178.06(9) . . . . ?
C3 C4 C5 C6 -0.55(16) . . . . ?
N1 C4 C5 C6 178.69(10) . . . . ?
O1 C1 C6 C5 -179.65(10) . . . . ?
C2 C1 C6 C5 0.03(16) . . . . ?
C4 C5 C6 C1 -0.07(16) . . . . ?
C1 C2 C7 C12 178.48(11) . . . . ?
C3 C2 C7 C12 -0.9(2) . . . . ?
C1 C2 C7 C8 -0.55(11) . . . . ?
C3 C2 C7 C8 -179.91(12) . . . . ?
C12 C7 C8 C9 1.03(16) . . . . ?
C2 C7 C8 C9 -179.76(10) . . . . ?
C12 C7 C8 O1 -179.12(9) . . . . ?
C2 C7 C8 O1 0.09(12) . . . . ?
O1 C8 C9 C10 -179.95(10) . . . . ?
C7 C8 C9 C10 -0.12(17) . . . . ?
C8 C9 C10 C11 -1.03(16) . . . . ?
C9 C10 C11 C12 1.31(17) . . . . ?
C9 C10 C11 N3 179.45(10) . . . . ?
C10 C11 C12 C7 -0.37(15) . . . . ?
N3 C11 C12 C7 -178.46(9) . . . . ?
C8 C7 C12 C11 -0.75(15) . . . . ?
C2 C7 C12 C11 -179.67(11) . . . . ?
N2 C13 C14 C15 -0.23(13) . . . . ?
N2 C13 C14 C16 -179.20(10) . . . . ?
C13 C14 C15 N1 0.00(11) . . . . ?
C16 C14 C15 N1 179.01(9) . . . . ?
C15 C14 C16 C17 -155.46(11) . . . . ?
C13 C14 C16 C17 23.30(17) . . . . ?
C15 C14 C16 C21 23.63(16) . . . . ?
C13 C14 C16 C21 -157.61(11) . . . . ?
C21 C16 C17 C18 -0.74(15) . . . . ?
C14 C16 C17 C18 178.38(10) . . . . ?
C16 C17 C18 C19 0.29(16) . . . . ?
C17 C18 C19 C20 0.62(16) . . . . ?
C18 C19 C20 C21 -1.06(16) . . . . ?
C19 C20 C21 C16 0.60(16) . . . . ?
C17 C16 C21 C20 0.30(16) . . . . ?
C14 C16 C21 C20 -178.82(9) . . . . ?
N3 C22 C23 C24 -0.85(12) . . . . ?
N3 C22 C23 C25 173.97(9) . . . . ?
C22 C23 C24 N4 0.83(12) . . . . ?
C25 C23 C24 N4 -173.81(10) . . . . ?
C22 C23 C25 C30 177.28(10) . . . . ?
C24 C23 C25 C30 -9.24(17) . . . . ?
C22 C23 C25 C26 -4.52(16) . . . . ?
C24 C23 C25 C26 168.96(11) . . . . ?
C30 C25 C26 C27 -0.18(16) . . . . ?
C23 C25 C26 C27 -178.44(10) . . . . ?
C25 C26 C27 C28 1.17(16) . . . . ?
C26 C27 C28 C29 -1.03(17) . . . . ?
C27 C28 C29 C30 -0.08(17) . . . . ?
C28 C29 C30 C25 1.08(17) . . . . ?
C26 C25 C30 C29 -0.94(16) . . . . ?
C23 C25 C30 C29 177.30(10) . . . . ?
C14 C15 N1 N2 0.22(12) . . . . ?
C14 C15 N1 C4 -177.57(10) . . . . ?
C3 C4 N1 C15 -169.92(10) . . . . ?
C5 C4 N1 C15 10.82(16) . . . . ?
C3 C4 N1 N2 12.46(14) . . . . ?
C5 C4 N1 N2 -166.80(9) . . . . ?
C14 C13 N2 N1 0.35(12) . . . . ?
C15 N1 N2 C13 -0.35(12) . . . . ?
C4 N1 N2 C13 177.63(9) . . . . ?
C23 C22 N3 N4 0.65(12) . . . . ?
C23 C22 N3 C11 -171.18(9) . . . . ?
C12 C11 N3 C22 -155.77(10) . . . . ?
C10 C11 N3 C22 26.05(15) . . . . ?
C12 C11 N3 N4 33.09(14) . . . . ?
C10 C11 N3 N4 -145.09(10) . . . . ?
C23 C24 N4 N3 -0.45(12) . . . . ?
C22 N3 N4 C24 -0.12(11) . . . . ?
C11 N3 N4 C24 172.25(9) . . . . ?
C6 C1 O1 C8 178.93(10) . . . . ?
C2 C1 O1 C8 -0.79(12) . . . . ?
C9 C8 O1 C1 -179.75(10) . . . . ?
C7 C8 O1 C1 0.41(11) . . . . ?

_refine_diff_density_max         0.188
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.041


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
