# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_2_pl
_database_code_depnum_ccdc_archive 'CCDC 2429714'
loop_
_audit_author_name
_audit_author_address
'Alireza Abbasi'
;University of Tehran
Iran
;
_audit_update_record             
;
2025-03-08 deposited with the CCDC.	2025-08-05 downloaded from the CCDC.
;
_audit_creation_date             2021-05-03
_audit_creation_method           
;

;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H22 N2'
_chemical_formula_sum            'C30 H22 N2'
_chemical_formula_weight         410.49
_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                   10.024(2)
_cell_length_b                   20.330(4)
_cell_length_c                   11.444(2)
_cell_angle_alpha                90
_cell_angle_beta                 104.69(3)
_cell_angle_gamma                90
_cell_volume                     2255.9(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13784
_cell_measurement_temperature    290
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.3
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.972
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  1.07265
_exptl_absorpt_correction_T_min  0.95457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'R.H. Blessing, Acta Crystallogr., Sect A 1995, 51, 33-38'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13784
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.327
_diffrn_ambient_temperature      290
_diffrn_detector                 'image-plate detector'
_diffrn_detector_area_resol_mean 0.81
_diffrn_detector_type            MAR345-dtb
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device       'one-circle diffractometer'
_diffrn_measurement_device_type  MAR-345dtb
_diffrn_measurement_method       'image-plate detector - phi oscillation'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3393
_reflns_number_total             3896
_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       'Automar software package (3.3a, 2015)'
_computing_data_collection       'MAR345 dtb Program (1.24-4, 2013)'
_computing_data_reduction        'Automar software package (3.3a, 2015)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'PLATON (2018)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.036
_refine_ls_extinction_coef       0.055(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         3896
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0642
_refine_ls_restrained_S_all      1.099
_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)+(0.0824P)²+0.6959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1718
_refine_ls_wR_factor_ref         0.1816
_refine_special_details          ?
_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:
 C1(H1), C6(H6), C10(H10), C12(H12), C14(H14), C18(H18), C20(H20), C22(H22),
 C24(H24), C28(H28), C7(H7), C15(H15), C2(H2), C9(H9), C5(H5), C21(H21),
 C23(H23), C3(H3), C25(H25)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C29 C 0.0155(2) 0.08938(12) 0.4317(2) 0.0668(6) Uani 1 1 d . . . . .
N4 N 0.26587(18) 0.06981(8) 0.35341(16) 0.0589(5) Uani 1 1 d . . . . .
C30 C -0.0168(2) 0.13302(12) 0.4901(2) 0.0690(6) Uani 1 1 d . . . . .
N3 N 0.4103(2) 0.14375(9) 0.46573(19) 0.0698(5) Uani 1 1 d . . . . .
C1 C 0.2993(2) -0.05562(11) 0.2443(2) 0.0656(6) Uani 1 1 d . . . . .
H1 H 0.377760 -0.033287 0.286482 0.079 Uiso 1 1 calc R U . . .
C4 C 0.3315(2) 0.05538(11) 0.5783(2) 0.0615(5) Uani 1 1 d . . . . .
C6 C 0.3125(3) -0.11115(12) 0.1789(2) 0.0752(7) Uani 1 1 d . . . . .
H6 H 0.399832 -0.126104 0.177874 0.090 Uiso 1 1 calc R U . . .
C8 C -0.0602(2) 0.18325(11) 0.5592(2) 0.0657(6) Uani 1 1 d . . . . .
C10 C -0.1455(4) 0.27912(14) 0.6975(3) 0.0910(8) Uani 1 1 d . . . . .
H10 H -0.174196 0.310882 0.744352 0.109 Uiso 1 1 calc R U . . .
C12 C 0.3427(2) -0.04546(12) 0.6910(2) 0.0716(6) Uani 1 1 d . . . . .
H12 H 0.349542 -0.091080 0.693741 0.086 Uiso 1 1 calc R U . . .
C14 C 0.3248(2) 0.08977(12) 0.6814(2) 0.0708(6) Uani 1 1 d . . . . .
H14 H 0.319512 0.135442 0.679353 0.085 Uiso 1 1 calc R U . . .
C16 C 0.1696(2) -0.03280(10) 0.24774(19) 0.0592(5) Uani 1 1 d . . . . .
C18 C 0.1986(3) -0.14441(13) 0.1156(2) 0.0803(7) Uani 1 1 d . . . . .
H18 H 0.208476 -0.181992 0.072214 0.096 Uiso 1 1 calc R U . . .
C20 C -0.1976(2) 0.18817(12) 0.5606(2) 0.0733(6) Uani 1 1 d . . . . .
H20 H -0.262077 0.159238 0.514956 0.088 Uiso 1 1 calc R U . . .
C22 C 0.2638(3) 0.11613(12) 0.1474(2) 0.0749(7) Uani 1 1 d . . . . .
H22 H 0.205751 0.084967 0.101079 0.090 Uiso 1 1 calc R U . . .
C24 C -0.0110(4) 0.27497(15) 0.6957(3) 0.0984(9) Uani 1 1 d . . . . .
H24 H 0.052492 0.304404 0.741014 0.118 Uiso 1 1 calc R U . . .
C26 C 0.3353(2) 0.09121(10) 0.4679(2) 0.0601(5) Uani 1 1 d . . . . .
C28 C 0.0547(3) -0.06683(13) 0.1805(2) 0.0797(7) Uani 1 1 d . . . . .
H28 H -0.033221 -0.051731 0.179217 0.096 Uiso 1 1 calc R U . . .
C7 C 0.4417(3) 0.21064(12) 0.2882(3) 0.0820(8) Uani 1 1 d . . . . .
H7 H 0.500699 0.241686 0.334001 0.098 Uiso 1 1 calc R U . . .
C15 C 0.3260(3) 0.05671(14) 0.7867(2) 0.0765(7) Uani 1 1 d . . . . .
H15 H 0.320759 0.080634 0.854632 0.092 Uiso 1 1 calc R U . . .
C2 C 0.0408(2) 0.03467(11) 0.3635(2) 0.0645(6) Uani 1 1 d . . . . .
H2 H -0.027892 0.002779 0.345047 0.077 Uiso 1 1 calc R U . . .
C17 C 0.3014(2) 0.11305(10) 0.2721(2) 0.0610(5) Uani 1 1 d . . . . .
C9 C 0.3169(3) 0.16790(14) 0.0950(3) 0.0846(8) Uani 1 1 d . . . . .
H9 H 0.294093 0.171619 0.011248 0.102 Uiso 1 1 calc R U . . .
C19 C 0.1532(2) 0.02402(10) 0.32279(19) 0.0580(5) Uani 1 1 d . . . . .
C5 C 0.3404(2) -0.01287(11) 0.5843(2) 0.0665(6) Uani 1 1 d . . . . .
H5 H 0.344967 -0.036780 0.516142 0.080 Uiso 1 1 calc R U . . .
C21 C 0.0328(3) 0.22769(13) 0.6275(3) 0.0866(8) Uani 1 1 d . . . . .
H21 H 0.125393 0.225547 0.627240 0.104 Uiso 1 1 calc R U . . .
C11 C 0.3349(3) -0.01126(14) 0.7941(2) 0.0752(7) Uani 1 1 d . . . . .
C23 C 0.4037(3) 0.21459(14) 0.1644(3) 0.0877(8) Uani 1 1 d . . . . .
H23 H 0.436521 0.249110 0.126234 0.105 Uiso 1 1 calc R U . . .
C3 C -0.2388(3) 0.23586(15) 0.6294(3) 0.0864(8) Uani 1 1 d . . . . .
H3 H -0.331305 0.238822 0.629743 0.104 Uiso 1 1 calc R U . . .
C25 C 0.0692(3) -0.12205(14) 0.1162(3) 0.0866(8) Uani 1 1 d . . . . .
H25 H -0.008582 -0.144488 0.073010 0.104 Uiso 1 1 calc R U . . .
C13 C 0.3898(2) 0.15892(11) 0.3437(2) 0.0670(6) Uani 1 1 d . . . . .
C27 C 0.3340(4) -0.04693(18) 0.9087(3) 0.1070(10) Uani 1 1 d . . . . .
H27A H 0.244390 -0.065541 0.902029 0.160 Uiso 1 1 calc R U . . .
H27B H 0.355509 -0.016644 0.975246 0.160 Uiso 1 1 calc R U . . .
H27C H 0.401652 -0.081417 0.922281 0.160 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
C29 C30 1.204(3) . ?
C29 C2 1.418(3) . ?
N4 C26 1.389(3) . ?
N4 C17 1.391(3) . ?
N4 C19 1.437(3) . ?
C30 C8 1.425(3) . ?
N3 C26 1.310(3) . ?
N3 C13 1.393(3) . ?
C1 H1 0.9300 . ?
C1 C6 1.379(3) . ?
C1 C16 1.390(3) . ?
C4 C14 1.387(3) . ?
C4 C26 1.467(3) . ?
C4 C5 1.391(3) . ?
C6 H6 0.9300 . ?
C6 C18 1.366(4) . ?
C8 C20 1.385(3) . ?
C8 C21 1.388(4) . ?
C10 H10 0.9300 . ?
C10 C24 1.356(4) . ?
C10 C3 1.374(4) . ?
C12 H12 0.9300 . ?
C12 C5 1.385(3) . ?
C12 C11 1.388(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.377(3) . ?
C16 C28 1.396(3) . ?
C16 C19 1.473(3) . ?
C18 H18 0.9300 . ?
C18 C25 1.377(4) . ?
C20 H20 0.9300 . ?
C20 C3 1.377(4) . ?
C22 H22 0.9300 . ?
C22 C17 1.382(3) . ?
C22 C9 1.383(4) . ?
C24 H24 0.9300 . ?
C24 C21 1.378(4) . ?
C28 H28 0.9300 . ?
C28 C25 1.370(4) . ?
C7 H7 0.9300 . ?
C7 C23 1.373(4) . ?
C7 C13 1.395(3) . ?
C15 H15 0.9300 . ?
C15 C11 1.386(4) . ?
C2 H2 0.9300 . ?
C2 C19 1.342(3) . ?
C17 C13 1.399(3) . ?
C9 H9 0.9300 . ?
C9 C23 1.392(4) . ?
C5 H5 0.9300 . ?
C21 H21 0.9300 . ?
C11 C27 1.501(4) . ?
C23 H23 0.9300 . ?
C3 H3 0.9300 . ?
C25 H25 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?

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
C30 C29 C2 174.0(2) . . ?
C26 N4 C17 106.34(17) . . ?
C26 N4 C19 127.43(18) . . ?
C17 N4 C19 124.43(18) . . ?
C29 C30 C8 177.7(2) . . ?
C26 N3 C13 105.09(19) . . ?
C6 C1 H1 119.8 . . ?
C6 C1 C16 120.5(2) . . ?
C16 C1 H1 119.8 . . ?
C14 C4 C26 119.9(2) . . ?
C14 C4 C5 118.5(2) . . ?
C5 C4 C26 121.5(2) . . ?
C1 C6 H6 119.6 . . ?
C18 C6 C1 120.7(2) . . ?
C18 C6 H6 119.6 . . ?
C20 C8 C30 120.1(2) . . ?
C20 C8 C21 118.3(2) . . ?
C21 C8 C30 121.5(2) . . ?
C24 C10 H10 120.4 . . ?
C24 C10 C3 119.2(3) . . ?
C3 C10 H10 120.4 . . ?
C5 C12 H12 119.4 . . ?
C5 C12 C11 121.2(2) . . ?
C11 C12 H12 119.4 . . ?
C4 C14 H14 119.8 . . ?
C15 C14 C4 120.4(2) . . ?
C15 C14 H14 119.8 . . ?
C1 C16 C28 117.8(2) . . ?
C1 C16 C19 121.43(19) . . ?
C28 C16 C19 120.8(2) . . ?
C6 C18 H18 120.1 . . ?
C6 C18 C25 119.7(2) . . ?
C25 C18 H18 120.1 . . ?
C8 C20 H20 120.0 . . ?
C3 C20 C8 120.1(2) . . ?
C3 C20 H20 120.0 . . ?
C17 C22 H22 121.7 . . ?
C17 C22 C9 116.6(3) . . ?
C9 C22 H22 121.7 . . ?
C10 C24 H24 119.6 . . ?
C10 C24 C21 120.9(3) . . ?
C21 C24 H24 119.6 . . ?
N4 C26 C4 122.75(18) . . ?
N3 C26 N4 112.9(2) . . ?
N3 C26 C4 124.2(2) . . ?
C16 C28 H28 119.4 . . ?
C25 C28 C16 121.2(2) . . ?
C25 C28 H28 119.4 . . ?
C23 C7 H7 120.8 . . ?
C23 C7 C13 118.4(3) . . ?
C13 C7 H7 120.8 . . ?
C14 C15 H15 119.1 . . ?
C14 C15 C11 121.7(2) . . ?
C11 C15 H15 119.1 . . ?
C29 C2 H2 116.5 . . ?
C19 C2 C29 126.9(2) . . ?
C19 C2 H2 116.5 . . ?
N4 C17 C13 105.15(19) . . ?
C22 C17 N4 132.1(2) . . ?
C22 C17 C13 122.7(2) . . ?
C22 C9 H9 119.2 . . ?
C22 C9 C23 121.6(3) . . ?
C23 C9 H9 119.2 . . ?
N4 C19 C16 116.93(17) . . ?
C2 C19 N4 119.23(19) . . ?
C2 C19 C16 123.84(19) . . ?
C4 C5 H5 119.8 . . ?
C12 C5 C4 120.5(2) . . ?
C12 C5 H5 119.8 . . ?
C8 C21 H21 119.7 . . ?
C24 C21 C8 120.5(3) . . ?
C24 C21 H21 119.7 . . ?
C12 C11 C27 121.0(3) . . ?
C15 C11 C12 117.7(2) . . ?
C15 C11 C27 121.4(3) . . ?
C7 C23 C9 121.3(3) . . ?
C7 C23 H23 119.4 . . ?
C9 C23 H23 119.4 . . ?
C10 C3 C20 121.0(3) . . ?
C10 C3 H3 119.5 . . ?
C20 C3 H3 119.5 . . ?
C18 C25 H25 119.9 . . ?
C28 C25 C18 120.1(2) . . ?
C28 C25 H25 119.9 . . ?
N3 C13 C7 130.2(2) . . ?
N3 C13 C17 110.47(19) . . ?
C7 C13 C17 119.3(2) . . ?
C11 C27 H27A 109.5 . . ?
C11 C27 H27B 109.5 . . ?
C11 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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
C29 C2 C19 N4 3.1(4) . . . . ?
C29 C2 C19 C16 -177.3(2) . . . . ?
N4 C17 C13 N3 1.1(2) . . . . ?
N4 C17 C13 C7 -178.4(2) . . . . ?
C30 C8 C20 C3 178.6(2) . . . . ?
C30 C8 C21 C24 -178.6(3) . . . . ?
C1 C6 C18 C25 0.5(4) . . . . ?
C1 C16 C28 C25 2.0(4) . . . . ?
C1 C16 C19 N4 23.8(3) . . . . ?
C1 C16 C19 C2 -155.9(2) . . . . ?
C4 C14 C15 C11 0.5(4) . . . . ?
C6 C1 C16 C28 -1.7(3) . . . . ?
C6 C1 C16 C19 176.3(2) . . . . ?
C6 C18 C25 C28 -0.2(4) . . . . ?
C8 C20 C3 C10 0.0(4) . . . . ?
C10 C24 C21 C8 0.0(5) . . . . ?
C14 C4 C26 N4 -141.4(2) . . . . ?
C14 C4 C26 N3 43.1(3) . . . . ?
C14 C4 C5 C12 0.0(3) . . . . ?
C14 C15 C11 C12 0.0(4) . . . . ?
C14 C15 C11 C27 -179.1(3) . . . . ?
C16 C1 C6 C18 0.5(4) . . . . ?
C16 C28 C25 C18 -1.1(4) . . . . ?
C20 C8 C21 C24 0.6(4) . . . . ?
C22 C17 C13 N3 -179.7(2) . . . . ?
C22 C17 C13 C7 0.8(3) . . . . ?
C22 C9 C23 C7 0.9(4) . . . . ?
C24 C10 C3 C20 0.7(4) . . . . ?
C26 N4 C17 C22 -179.8(2) . . . . ?
C26 N4 C17 C13 -0.8(2) . . . . ?
C26 N4 C19 C16 -126.1(2) . . . . ?
C26 N4 C19 C2 53.6(3) . . . . ?
C26 N3 C13 C7 178.5(2) . . . . ?
C26 N3 C13 C17 -1.0(2) . . . . ?
C26 C4 C14 C15 -177.7(2) . . . . ?
C26 C4 C5 C12 177.2(2) . . . . ?
C28 C16 C19 N4 -158.3(2) . . . . ?
C28 C16 C19 C2 22.1(3) . . . . ?
C17 N4 C26 N3 0.2(2) . . . . ?
C17 N4 C26 C4 -175.72(19) . . . . ?
C17 N4 C19 C16 71.3(3) . . . . ?
C17 N4 C19 C2 -109.0(2) . . . . ?
C17 C22 C9 C23 -0.1(4) . . . . ?
C9 C22 C17 N4 178.2(2) . . . . ?
C9 C22 C17 C13 -0.7(4) . . . . ?
C19 N4 C26 N3 -164.9(2) . . . . ?
C19 N4 C26 C4 19.2(3) . . . . ?
C19 N4 C17 C22 -14.2(4) . . . . ?
C19 N4 C17 C13 164.93(19) . . . . ?
C19 C16 C28 C25 -176.0(2) . . . . ?
C5 C4 C14 C15 -0.5(3) . . . . ?
C5 C4 C26 N4 41.4(3) . . . . ?
C5 C4 C26 N3 -134.0(2) . . . . ?
C5 C12 C11 C15 -0.5(4) . . . . ?
C5 C12 C11 C27 178.5(3) . . . . ?
C21 C8 C20 C3 -0.6(4) . . . . ?
C11 C12 C5 C4 0.6(3) . . . . ?
C23 C7 C13 N3 -179.4(2) . . . . ?
C23 C7 C13 C17 0.0(4) . . . . ?
C3 C10 C24 C21 -0.6(5) . . . . ?
C13 N3 C26 N4 0.5(2) . . . . ?
C13 N3 C26 C4 176.3(2) . . . . ?
C13 C7 C23 C9 -0.8(4) . . . . ?

_submission_special_instructions 'No special instructions were received'
