# 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_BS_AA207
_database_code_depnum_ccdc_archive 'CCDC 2498997'
loop_
_audit_author_name
_audit_author_address
'Bipul Sarma'
;Tezpur University
India
;
_audit_update_record             
;
2026-03-04 deposited with the CCDC.	2026-03-05 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         ?
_chemical_formula_sum            'C13 H10 N4'
_chemical_formula_weight         222.25

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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   5.08(2)
_cell_length_b                   16.32(7)
_cell_length_c                   13.82(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.01(4)
_cell_angle_gamma                90
_cell_volume                     1146(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    926
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      12.67

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_F_000             464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.082
_shelx_estimated_absorpt_T_min   0.978
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.980
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   SADABS
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39529
_diffrn_reflns_av_unetI/netI     0.1359
_diffrn_reflns_av_R_equivalents  0.2199
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.473
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4455
_reflns_number_gt                2055
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.929
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    0.999

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] 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 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -5(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4455
_refine_ls_number_parameters     308
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1715
_refine_ls_R_factor_gt           0.0688
_refine_ls_wR_factor_ref         0.1576
_refine_ls_wR_factor_gt          0.1277
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_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
N3 N 0.8420(12) 0.3945(4) 0.0000(4) 0.0662(17) Uani 1 1 d . . . . .
N4 N 0.6876(11) 0.4145(3) 0.0769(4) 0.0588(15) Uani 1 1 d . . . . .
N1 N 0.6011(13) 0.2888(4) 0.0223(5) 0.0729(18) Uani 1 1 d . . . . .
N2 N 0.7901(13) 0.3185(4) -0.0341(5) 0.0732(18) Uani 1 1 d . . . . .
C1 C 0.5386(13) 0.3463(4) 0.0874(5) 0.0469(17) Uani 1 1 d . . . . .
C2 C 0.3441(14) 0.3364(4) 0.1604(5) 0.0567(19) Uani 1 1 d . . . . .
C8 C 1.0388(13) 0.4474(4) -0.0420(5) 0.0564(18) Uani 1 1 d . . . . .
C3 C 0.3009(14) 0.3950(5) 0.2311(5) 0.067(2) Uani 1 1 d . . . . .
H3 H 0.4046 0.4434 0.2320 0.080 Uiso 1 1 calc R U . . .
C9 C 1.1967(15) 0.4180(5) -0.1164(5) 0.068(2) Uani 1 1 d . . . . .
H9 H 1.1773 0.3633 -0.1386 0.082 Uiso 1 1 calc R U . . .
C7 C 0.1860(14) 0.2663(5) 0.1591(6) 0.066(2) Uani 1 1 d . . . . .
H7 H 0.2081 0.2262 0.1099 0.080 Uiso 1 1 calc R U . . .
C4 C 0.1080(16) 0.3835(5) 0.3003(6) 0.074(2) Uani 1 1 d . . . . .
H4 H 0.0818 0.4241 0.3486 0.089 Uiso 1 1 calc R U . . .
C10 C 1.3815(16) 0.4689(6) -0.1579(6) 0.078(2) Uani 1 1 d . . . . .
H10 H 1.4902 0.4490 -0.2087 0.093 Uiso 1 1 calc R U . . .
C6 C -0.0038(16) 0.2558(5) 0.2305(6) 0.076(2) Uani 1 1 d . . . . .
H6 H -0.1067 0.2072 0.2310 0.091 Uiso 1 1 calc R U . . .
C5 C -0.0460(16) 0.3146(5) 0.3006(6) 0.075(2) Uani 1 1 d . . . . .
H5 H -0.1791 0.3074 0.3481 0.090 Uiso 1 1 calc R U . . .
C13 C 1.0664(15) 0.5269(5) -0.0085(6) 0.070(2) Uani 1 1 d . . . . .
H13 H 0.9591 0.5471 0.0425 0.084 Uiso 1 1 calc R U . . .
C11 C 1.4094(16) 0.5481(5) -0.1263(6) 0.073(2) Uani 1 1 d . . . . .
H11 H 1.5350 0.5831 -0.1561 0.088 Uiso 1 1 calc R U . . .
C12 C 1.2578(16) 0.5770(5) -0.0522(6) 0.076(2) Uani 1 1 d . . . . .
H12 H 1.2819 0.6316 -0.0300 0.091 Uiso 1 1 calc R U . . .
N6 N 0.9600(13) 0.1519(3) 0.5876(5) 0.0681(18) Uani 1 1 d . . . . .
N7 N 0.8996(13) 0.2107(4) 0.5210(5) 0.0716(18) Uani 1 1 d . . . . .
N8 N 0.7078(13) 0.1808(4) 0.4663(5) 0.0723(18) Uani 1 1 d . . . . .
N5 N 0.8121(11) 0.0849(3) 0.5763(4) 0.0580(15) Uani 1 1 d . . . . .
C14 C 0.6593(13) 0.1044(4) 0.5011(5) 0.0490(17) Uani 1 1 d . . . . .
C21 C 1.1619(14) 0.1624(4) 0.6601(5) 0.0566(19) Uani 1 1 d . . . . .
C15 C 0.4640(14) 0.0514(4) 0.4583(5) 0.0588(19) Uani 1 1 d . . . . .
C17 C 0.1212(17) 0.0306(5) 0.3421(6) 0.076(2) Uani 1 1 d . . . . .
H17 H 0.0167 0.0502 0.2900 0.091 Uiso 1 1 calc R U . . .
C22 C 1.1977(14) 0.1043(4) 0.7319(5) 0.0648(19) Uani 1 1 d . . . . .
H22 H 1.0882 0.0571 0.7341 0.078 Uiso 1 1 calc R U . . .
C24 C 1.5472(15) 0.1852(5) 0.8012(6) 0.074(2) Uani 1 1 d . . . . .
H24 H 1.6777 0.1930 0.8495 0.089 Uiso 1 1 calc R U . . .
C26 C 1.3118(15) 0.2339(5) 0.6598(6) 0.068(2) Uani 1 1 d . . . . .
H26 H 1.2819 0.2753 0.6127 0.082 Uiso 1 1 calc R U . . .
C23 C 1.3928(15) 0.1150(5) 0.8001(5) 0.071(2) Uani 1 1 d . . . . .
H23 H 1.4221 0.0736 0.8472 0.085 Uiso 1 1 calc R U . . .
C20 C 0.4331(15) -0.0275(5) 0.4916(6) 0.068(2) Uani 1 1 d . . . . .
H20 H 0.5380 -0.0474 0.5434 0.082 Uiso 1 1 calc R U . . .
C16 C 0.3058(14) 0.0813(5) 0.3838(5) 0.067(2) Uani 1 1 d . . . . .
H16 H 0.3252 0.1362 0.3621 0.080 Uiso 1 1 calc R U . . .
C18 C 0.0866(17) -0.0480(5) 0.3748(6) 0.080(2) Uani 1 1 d . . . . .
H18 H -0.0459 -0.0820 0.3475 0.095 Uiso 1 1 calc R U . . .
C19 C 0.2475(17) -0.0774(5) 0.4484(6) 0.080(2) Uani 1 1 d . . . . .
H19 H 0.2295 -0.1325 0.4694 0.096 Uiso 1 1 calc R U . . .
C25 C 1.5063(16) 0.2437(5) 0.7299(7) 0.077(2) Uani 1 1 d . . . . .
H25 H 1.6133 0.2914 0.7288 0.093 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
N3 N2 1.353(9) . ?
N3 N4 1.360(8) . ?
N3 C8 1.443(9) . ?
N4 C1 1.354(9) . ?
N1 N2 1.328(8) . ?
N1 C1 1.338(9) . ?
C1 C2 1.422(10) . ?
C2 C3 1.385(10) . ?
C2 C7 1.398(10) . ?
C8 C13 1.385(11) . ?
C8 C9 1.390(10) . ?
C3 C4 1.382(11) . ?
C3 H3 0.9500 . ?
C9 C10 1.379(10) . ?
C9 H9 0.9500 . ?
C7 C6 1.390(11) . ?
C7 H7 0.9500 . ?
C4 C5 1.370(11) . ?
C4 H4 0.9500 . ?
C10 C11 1.371(12) . ?
C10 H10 0.9500 . ?
C6 C5 1.381(12) . ?
C6 H6 0.9500 . ?
C5 H5 0.9500 . ?
C13 C12 1.407(11) . ?
C13 H13 0.9500 . ?
C11 C12 1.365(11) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N6 N5 1.335(9) . ?
N6 N7 1.364(9) . ?
N6 C21 1.443(10) . ?
N7 N8 1.326(8) . ?
N8 C14 1.359(9) . ?
N5 C14 1.335(9) . ?
C14 C15 1.443(10) . ?
C21 C22 1.384(10) . ?
C21 C26 1.394(10) . ?
C15 C20 1.376(11) . ?
C15 C16 1.394(10) . ?
C17 C18 1.372(12) . ?
C17 C16 1.378(10) . ?
C17 H17 0.9500 . ?
C22 C23 1.379(10) . ?
C22 H22 0.9500 . ?
C24 C25 1.388(12) . ?
C24 C23 1.388(11) . ?
C24 H24 0.9500 . ?
C26 C25 1.392(11) . ?
C26 H26 0.9500 . ?
C23 H23 0.9500 . ?
C20 C19 1.380(11) . ?
C20 H20 0.9500 . ?
C16 H16 0.9500 . ?
C18 C19 1.390(12) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C25 H25 0.9500 . ?

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
N2 N3 N4 112.3(6) . . ?
N2 N3 C8 122.9(6) . . ?
N4 N3 C8 124.8(6) . . ?
C1 N4 N3 102.1(6) . . ?
N2 N1 C1 108.0(6) . . ?
N1 N2 N3 105.8(6) . . ?
N1 C1 N4 111.8(7) . . ?
N1 C1 C2 124.2(6) . . ?
N4 C1 C2 123.9(6) . . ?
C3 C2 C7 118.9(7) . . ?
C3 C2 C1 122.2(7) . . ?
C7 C2 C1 118.9(7) . . ?
C13 C8 C9 120.8(7) . . ?
C13 C8 N3 119.8(7) . . ?
C9 C8 N3 119.5(7) . . ?
C4 C3 C2 120.5(8) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C10 C9 C8 119.6(8) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C6 C7 C2 119.3(8) . . ?
C6 C7 H7 120.3 . . ?
C2 C7 H7 120.3 . . ?
C5 C4 C3 121.2(8) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C9 C10 C11 120.3(8) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C5 C6 C7 121.4(8) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C4 C5 C6 118.6(8) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C8 C13 C12 118.1(8) . . ?
C8 C13 H13 121.0 . . ?
C12 C13 H13 121.0 . . ?
C12 C11 C10 120.4(8) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 120.8(8) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
N5 N6 N7 111.7(7) . . ?
N5 N6 C21 125.3(6) . . ?
N7 N6 C21 123.0(6) . . ?
N8 N7 N6 107.0(6) . . ?
N7 N8 C14 105.6(6) . . ?
C14 N5 N6 102.9(6) . . ?
N5 C14 N8 112.8(6) . . ?
N5 C14 C15 125.2(6) . . ?
N8 C14 C15 122.0(7) . . ?
C22 C21 C26 120.2(7) . . ?
C22 C21 N6 120.6(7) . . ?
C26 C21 N6 119.0(7) . . ?
C20 C15 C16 120.6(7) . . ?
C20 C15 C14 120.2(7) . . ?
C16 C15 C14 119.2(7) . . ?
C18 C17 C16 120.8(8) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C23 C22 C21 119.8(7) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C25 C24 C23 118.4(8) . . ?
C25 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
C25 C26 C21 118.8(8) . . ?
C25 C26 H26 120.6 . . ?
C21 C26 H26 120.6 . . ?
C22 C23 C24 121.2(8) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C15 C20 C19 119.0(8) . . ?
C15 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C17 C16 C15 119.4(8) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C17 C18 C19 119.2(8) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 121.0(8) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C24 C25 C26 121.4(8) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?

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
N2 N3 N4 C1 -0.1(7) . . . . ?
C8 N3 N4 C1 179.6(6) . . . . ?
C1 N1 N2 N3 1.1(7) . . . . ?
N4 N3 N2 N1 -0.6(8) . . . . ?
C8 N3 N2 N1 179.7(6) . . . . ?
N2 N1 C1 N4 -1.2(8) . . . . ?
N2 N1 C1 C2 -179.7(6) . . . . ?
N3 N4 C1 N1 0.8(7) . . . . ?
N3 N4 C1 C2 179.3(6) . . . . ?
N1 C1 C2 C3 174.6(6) . . . . ?
N4 C1 C2 C3 -3.8(10) . . . . ?
N1 C1 C2 C7 -7.3(10) . . . . ?
N4 C1 C2 C7 174.4(6) . . . . ?
N2 N3 C8 C13 174.6(7) . . . . ?
N4 N3 C8 C13 -5.0(10) . . . . ?
N2 N3 C8 C9 -4.6(10) . . . . ?
N4 N3 C8 C9 175.7(6) . . . . ?
C7 C2 C3 C4 1.2(10) . . . . ?
C1 C2 C3 C4 179.4(6) . . . . ?
C13 C8 C9 C10 -0.5(11) . . . . ?
N3 C8 C9 C10 178.8(6) . . . . ?
C3 C2 C7 C6 -2.1(10) . . . . ?
C1 C2 C7 C6 179.6(6) . . . . ?
C2 C3 C4 C5 -0.4(11) . . . . ?
C8 C9 C10 C11 -0.2(12) . . . . ?
C2 C7 C6 C5 2.3(10) . . . . ?
C3 C4 C5 C6 0.5(11) . . . . ?
C7 C6 C5 C4 -1.5(11) . . . . ?
C9 C8 C13 C12 0.2(11) . . . . ?
N3 C8 C13 C12 -179.0(6) . . . . ?
C9 C10 C11 C12 1.2(13) . . . . ?
C10 C11 C12 C13 -1.5(12) . . . . ?
C8 C13 C12 C11 0.8(11) . . . . ?
N5 N6 N7 N8 0.4(7) . . . . ?
C21 N6 N7 N8 179.9(6) . . . . ?
N6 N7 N8 C14 -0.5(7) . . . . ?
N7 N6 N5 C14 -0.2(7) . . . . ?
C21 N6 N5 C14 -179.6(6) . . . . ?
N6 N5 C14 N8 -0.2(7) . . . . ?
N6 N5 C14 C15 179.0(6) . . . . ?
N7 N8 C14 N5 0.4(8) . . . . ?
N7 N8 C14 C15 -178.7(6) . . . . ?
N5 N6 C21 C22 -7.0(10) . . . . ?
N7 N6 C21 C22 173.6(6) . . . . ?
N5 N6 C21 C26 176.2(6) . . . . ?
N7 N6 C21 C26 -3.2(9) . . . . ?
N5 C14 C15 C20 -3.4(10) . . . . ?
N8 C14 C15 C20 175.6(7) . . . . ?
N5 C14 C15 C16 176.0(6) . . . . ?
N8 C14 C15 C16 -5.0(9) . . . . ?
C26 C21 C22 C23 -3.7(10) . . . . ?
N6 C21 C22 C23 179.5(6) . . . . ?
C22 C21 C26 C25 3.2(10) . . . . ?
N6 C21 C26 C25 180.0(6) . . . . ?
C21 C22 C23 C24 3.1(11) . . . . ?
C25 C24 C23 C22 -1.9(11) . . . . ?
C16 C15 C20 C19 1.6(11) . . . . ?
C14 C15 C20 C19 -179.1(6) . . . . ?
C18 C17 C16 C15 1.9(11) . . . . ?
C20 C15 C16 C17 -1.4(10) . . . . ?
C14 C15 C16 C17 179.3(6) . . . . ?
C16 C17 C18 C19 -2.6(12) . . . . ?
C15 C20 C19 C18 -2.3(12) . . . . ?
C17 C18 C19 C20 2.8(12) . . . . ?
C23 C24 C25 C26 1.5(11) . . . . ?
C21 C26 C25 C24 -2.1(10) . . . . ?

_refine_diff_density_max         0.160
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.053

