# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 2326718'
loop_
_audit_author_name
_audit_author_address
'Beneesh P Babu'
;National Institute of Technology Karnataka
India
;
_audit_update_record             
;
2024-01-19 deposited with the CCDC.	2024-07-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H24 N2 O'
_chemical_formula_sum            'C31 H24 N2 O'
_chemical_formula_weight         440.52

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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.1461(6)
_cell_length_b                   19.503(3)
_cell_length_c                   19.670(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2357.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4041
_cell_measurement_theta_min      4.638
_cell_measurement_theta_max      42.515

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_F_000             928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.075
_shelx_estimated_absorpt_T_min   0.963
_shelx_estimated_absorpt_T_max   0.985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.963
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_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 axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29374
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.470
_diffrn_reflns_theta_max         28.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5904
_reflns_number_gt                3181
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.747
_reflns_Friedel_fraction_max     0.988
_reflns_Friedel_fraction_full    1.000

_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       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altornare et al., 2014)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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)+(0.2000P)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_abs_structure_details 
;
 Flack x determined using 1015 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.2(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5904
_refine_ls_number_parameters     308
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1232
_refine_ls_R_factor_gt           0.0539
_refine_ls_wR_factor_ref         0.2488
_refine_ls_wR_factor_gt          0.1713
_refine_ls_goodness_of_fit_ref   0.794
_refine_ls_restrained_S_all      0.794
_refine_ls_shift/su_max          0.000
_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 0.8377(10) 0.6379(3) 0.4451(3) 0.0625(13) Uani 1 1 d . . . . .
H1 H 0.9725 0.6168 0.4402 0.075 Uiso 1 1 calc R U . . .
C2 C 0.7730(12) 0.6860(3) 0.3992(3) 0.0770(17) Uani 1 1 d . . . . .
H2 H 0.8621 0.6965 0.3624 0.092 Uiso 1 1 calc R U . . .
C3 C 0.5760(12) 0.7193(3) 0.4068(4) 0.0822(18) Uani 1 1 d . . . . .
H3 H 0.5337 0.7528 0.3760 0.099 Uiso 1 1 calc R U . . .
C4 C 0.4440(10) 0.7024(3) 0.4601(3) 0.0727(16) Uani 1 1 d . . . . .
H4 H 0.3113 0.7246 0.4655 0.087 Uiso 1 1 calc R U . . .
C5 C 0.5057(8) 0.6530(3) 0.5054(3) 0.0623(14) Uani 1 1 d . . . . .
H5 H 0.4131 0.6414 0.5409 0.075 Uiso 1 1 calc R U . . .
C6 C 0.7032(8) 0.6202(3) 0.4992(3) 0.0547(12) Uani 1 1 d . . . . .
C7 C 0.7699(8) 0.5686(3) 0.5504(2) 0.0556(12) Uani 1 1 d . . . . .
H7 H 0.6599 0.5473 0.5750 0.067 Uiso 1 1 calc R U . . .
C8 C 0.9697(8) 0.5506(3) 0.5639(3) 0.0579(13) Uani 1 1 d . . . . .
H8 H 1.0785 0.5725 0.5393 0.069 Uiso 1 1 calc R U . . .
C9 C 1.0399(8) 0.5002(3) 0.6131(3) 0.0526(12) Uani 1 1 d . . . . .
C10 C 0.8786(7) 0.4695(2) 0.6614(2) 0.0472(11) Uani 1 1 d . . . . .
C11 C 0.7478(7) 0.5058(2) 0.7055(2) 0.0465(10) Uani 1 1 d . . . . .
C12 C 0.7220(8) 0.5796(2) 0.7176(2) 0.0482(10) Uani 1 1 d . . . . .
C13 C 0.8951(9) 0.6191(3) 0.7399(3) 0.0578(12) Uani 1 1 d . . . . .
H13 H 1.0301 0.5990 0.7478 0.069 Uiso 1 1 calc R U . . .
C14 C 0.8659(11) 0.6885(3) 0.7505(3) 0.0698(15) Uani 1 1 d . . . . .
H14 H 0.9825 0.7152 0.7649 0.084 Uiso 1 1 calc R U . . .
C15 C 0.6685(10) 0.7183(3) 0.7400(3) 0.0693(15) Uani 1 1 d . . . . .
H15 H 0.6501 0.7650 0.7476 0.083 Uiso 1 1 calc R U . . .
C16 C 0.4966(10) 0.6790(3) 0.7182(3) 0.0697(15) Uani 1 1 d . . . . .
H16 H 0.3616 0.6993 0.7111 0.084 Uiso 1 1 calc R U . . .
C17 C 0.5225(8) 0.6108(3) 0.7071(3) 0.0592(13) Uani 1 1 d . . . . .
H17 H 0.4050 0.5847 0.6922 0.071 Uiso 1 1 calc R U . . .
C18 C 0.5227(9) 0.5126(3) 0.8463(3) 0.0588(13) Uani 1 1 d . . . . .
H18 H 0.6555 0.5354 0.8479 0.071 Uiso 1 1 calc R U . . .
C19 C 0.3696(12) 0.5216(3) 0.8967(3) 0.0774(17) Uani 1 1 d . . . . .
H19 H 0.3987 0.5514 0.9325 0.093 Uiso 1 1 calc R U . . .
C20 C 0.1750(11) 0.4874(3) 0.8946(4) 0.0789(19) Uani 1 1 d . . . . .
H20 H 0.0736 0.4934 0.9293 0.095 Uiso 1 1 calc R U . . .
C21 C 0.1306(9) 0.4447(3) 0.8420(4) 0.0768(18) Uani 1 1 d . . . . .
H21 H -0.0022 0.4218 0.8407 0.092 Uiso 1 1 calc R U . . .
C22 C 0.2786(8) 0.4345(3) 0.7905(3) 0.0611(13) Uani 1 1 d . . . . .
H22 H 0.2470 0.4050 0.7546 0.073 Uiso 1 1 calc R U . . .
C23 C 0.4738(7) 0.4686(2) 0.7931(2) 0.0489(11) Uani 1 1 d . . . . .
C24 C 0.8249(7) 0.3993(2) 0.6719(2) 0.0456(10) Uani 1 1 d . . . . .
C25 C 0.8991(7) 0.3371(2) 0.6370(2) 0.0474(10) Uani 1 1 d . . . . .
C26 C 0.7572(8) 0.2825(3) 0.6309(3) 0.0561(12) Uani 1 1 d . . . . .
H26 H 0.6168 0.2862 0.6482 0.067 Uiso 1 1 calc R U . . .
C27 C 0.8216(9) 0.2225(3) 0.5995(3) 0.0625(14) Uani 1 1 d . . . . .
H27 H 0.7235 0.1864 0.5962 0.075 Uiso 1 1 calc R U . . .
C28 C 1.0281(9) 0.2149(3) 0.5730(3) 0.0601(13) Uani 1 1 d . . . . .
C29 C 1.1682(8) 0.2691(3) 0.5791(3) 0.0613(14) Uani 1 1 d . . . . .
H29 H 1.3079 0.2651 0.5614 0.074 Uiso 1 1 calc R U . . .
C30 C 1.1096(8) 0.3289(3) 0.6106(3) 0.0578(12) Uani 1 1 d . . . . .
H30 H 1.2099 0.3644 0.6144 0.069 Uiso 1 1 calc R U . . .
C31 C 1.1002(12) 0.1488(3) 0.5404(4) 0.0815(18) Uani 1 1 d . . . . .
H31A H 1.1224 0.1147 0.5749 0.122 Uiso 1 1 calc R U . . .
H31B H 1.2338 0.1563 0.5162 0.122 Uiso 1 1 calc R U . . .
H31C H 0.9903 0.1334 0.5093 0.122 Uiso 1 1 calc R U . . .
N1 N 0.6288(6) 0.4587(2) 0.7399(2) 0.0496(9) Uani 1 1 d . . . . .
N2 N 0.6723(6) 0.3938(2) 0.7191(2) 0.0507(10) Uani 1 1 d . . . . .
O3 O 1.2326(6) 0.4837(2) 0.6160(2) 0.0774(12) 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 C2 1.361(8) . ?
C1 C6 1.391(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.382(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.481(7) . ?
C7 C8 1.305(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.444(7) . ?
C8 H8 0.9300 . ?
C9 O3 1.229(6) . ?
C9 C10 1.498(6) . ?
C10 C11 1.379(7) . ?
C10 C24 1.424(7) . ?
C11 N1 1.355(6) . ?
C11 C12 1.468(7) . ?
C12 C17 1.384(7) . ?
C12 C13 1.384(7) . ?
C13 C14 1.381(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.361(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.373(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(8) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.385(8) . ?
C18 C19 1.378(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.371(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.357(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.375(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(7) . ?
C22 H22 0.9300 . ?
C23 N1 1.429(6) . ?
C24 N2 1.324(5) . ?
C24 C25 1.466(6) . ?
C25 C26 1.382(7) . ?
C25 C30 1.403(7) . ?
C26 C27 1.381(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.380(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.369(8) . ?
C28 C31 1.506(8) . ?
C29 C30 1.368(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
N1 N2 1.356(6) . ?

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 C1 C6 120.3(6) . . ?
C2 C1 H1 119.8 . . ?
C6 C1 H1 119.8 . . ?
C1 C2 C3 120.5(6) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 119.4(6) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 120.4(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 121.0(5) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 118.4(5) . . ?
C5 C6 C7 120.0(5) . . ?
C1 C6 C7 121.6(5) . . ?
C8 C7 C6 125.6(5) . . ?
C8 C7 H7 117.2 . . ?
C6 C7 H7 117.2 . . ?
C7 C8 C9 126.9(5) . . ?
C7 C8 H8 116.5 . . ?
C9 C8 H8 116.5 . . ?
O3 C9 C8 119.9(4) . . ?
O3 C9 C10 120.1(5) . . ?
C8 C9 C10 119.9(4) . . ?
C11 C10 C24 105.5(4) . . ?
C11 C10 C9 125.4(4) . . ?
C24 C10 C9 129.0(4) . . ?
N1 C11 C10 106.2(4) . . ?
N1 C11 C12 121.8(4) . . ?
C10 C11 C12 132.0(4) . . ?
C17 C12 C13 119.0(5) . . ?
C17 C12 C11 120.1(4) . . ?
C13 C12 C11 120.9(4) . . ?
C12 C13 C14 119.5(5) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C15 C14 C13 120.8(5) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 119.7(5) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.5(5) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C12 120.6(5) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
C23 C18 C19 118.3(5) . . ?
C23 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
C20 C19 C18 120.8(6) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 119.8(5) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C22 121.2(6) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 118.7(6) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C22 C23 C18 121.2(5) . . ?
C22 C23 N1 119.3(5) . . ?
C18 C23 N1 119.5(4) . . ?
N2 C24 C10 110.1(4) . . ?
N2 C24 C25 118.8(4) . . ?
C10 C24 C25 130.9(4) . . ?
C26 C25 C30 117.5(5) . . ?
C26 C25 C24 118.8(4) . . ?
C30 C25 C24 123.7(4) . . ?
C25 C26 C27 120.8(5) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 121.6(5) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 117.5(5) . . ?
C27 C28 C31 121.6(5) . . ?
C29 C28 C31 120.9(5) . . ?
C30 C29 C28 122.2(5) . . ?
C30 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
C29 C30 C25 120.5(5) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N2 N1 C11 112.2(4) . . ?
N2 N1 C23 118.6(4) . . ?
C11 N1 C23 129.2(4) . . ?
C24 N2 N1 106.0(4) . . ?

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
C6 C1 C2 C3 1.9(9) . . . . ?
C1 C2 C3 C4 -1.5(10) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
C3 C4 C5 C6 1.1(9) . . . . ?
C4 C5 C6 C1 -0.7(8) . . . . ?
C4 C5 C6 C7 177.8(5) . . . . ?
C2 C1 C6 C5 -0.9(8) . . . . ?
C2 C1 C6 C7 -179.3(5) . . . . ?
C5 C6 C7 C8 -156.4(5) . . . . ?
C1 C6 C7 C8 22.0(8) . . . . ?
C6 C7 C8 C9 -179.5(5) . . . . ?
C7 C8 C9 O3 173.1(6) . . . . ?
C7 C8 C9 C10 -8.3(9) . . . . ?
O3 C9 C10 C11 122.2(6) . . . . ?
C8 C9 C10 C11 -56.3(7) . . . . ?
O3 C9 C10 C24 -58.3(7) . . . . ?
C8 C9 C10 C24 123.1(6) . . . . ?
C24 C10 C11 N1 0.8(5) . . . . ?
C9 C10 C11 N1 -179.6(4) . . . . ?
C24 C10 C11 C12 -178.2(5) . . . . ?
C9 C10 C11 C12 1.4(8) . . . . ?
N1 C11 C12 C17 -59.8(7) . . . . ?
C10 C11 C12 C17 119.1(6) . . . . ?
N1 C11 C12 C13 119.9(5) . . . . ?
C10 C11 C12 C13 -61.3(7) . . . . ?
C17 C12 C13 C14 -0.7(8) . . . . ?
C11 C12 C13 C14 179.7(5) . . . . ?
C12 C13 C14 C15 0.8(9) . . . . ?
C13 C14 C15 C16 -0.5(9) . . . . ?
C14 C15 C16 C17 0.0(9) . . . . ?
C15 C16 C17 C12 0.2(9) . . . . ?
C13 C12 C17 C16 0.2(8) . . . . ?
C11 C12 C17 C16 179.9(5) . . . . ?
C23 C18 C19 C20 0.8(8) . . . . ?
C18 C19 C20 C21 -0.9(9) . . . . ?
C19 C20 C21 C22 0.5(9) . . . . ?
C20 C21 C22 C23 -0.1(8) . . . . ?
C21 C22 C23 C18 0.0(7) . . . . ?
C21 C22 C23 N1 -179.8(4) . . . . ?
C19 C18 C23 C22 -0.4(7) . . . . ?
C19 C18 C23 N1 179.5(4) . . . . ?
C11 C10 C24 N2 0.0(5) . . . . ?
C9 C10 C24 N2 -179.6(4) . . . . ?
C11 C10 C24 C25 175.6(4) . . . . ?
C9 C10 C24 C25 -4.0(8) . . . . ?
N2 C24 C25 C26 27.5(6) . . . . ?
C10 C24 C25 C26 -147.7(5) . . . . ?
N2 C24 C25 C30 -150.7(5) . . . . ?
C10 C24 C25 C30 34.0(8) . . . . ?
C30 C25 C26 C27 -0.4(7) . . . . ?
C24 C25 C26 C27 -178.8(5) . . . . ?
C25 C26 C27 C28 -0.2(8) . . . . ?
C26 C27 C28 C29 0.3(8) . . . . ?
C26 C27 C28 C31 178.4(5) . . . . ?
C27 C28 C29 C30 0.4(8) . . . . ?
C31 C28 C29 C30 -177.8(5) . . . . ?
C28 C29 C30 C25 -1.0(8) . . . . ?
C26 C25 C30 C29 1.0(7) . . . . ?
C24 C25 C30 C29 179.3(5) . . . . ?
C10 C11 N1 N2 -1.4(5) . . . . ?
C12 C11 N1 N2 177.7(4) . . . . ?
C10 C11 N1 C23 177.6(4) . . . . ?
C12 C11 N1 C23 -3.3(7) . . . . ?
C22 C23 N1 N2 -46.7(6) . . . . ?
C18 C23 N1 N2 133.5(5) . . . . ?
C22 C23 N1 C11 134.4(5) . . . . ?
C18 C23 N1 C11 -45.5(7) . . . . ?
C10 C24 N2 N1 -0.8(5) . . . . ?
C25 C24 N2 N1 -177.0(4) . . . . ?
C11 N1 N2 C24 1.4(5) . . . . ?
C23 N1 N2 C24 -177.7(4) . . . . ?

_refine_diff_density_max         0.157
_refine_diff_density_min         -0.156
_refine_diff_density_rms         0.034


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane-Methanol mixture'
