# Electronic Supplementary Material (ESI) for Analytical Methods.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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#######################################################################

data_mono_a_a_pl
_database_code_depnum_ccdc_archive 'CCDC 2038659'
loop_
_audit_author_name
_audit_author_address
'Sunanda Dey'
;Jadavpur University
India
;
_audit_update_record             
;
2020-10-15 deposited with the CCDC.	2021-10-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H23 N3 O2'
_chemical_formula_sum            'C27 H23 N3 O2'
_chemical_formula_weight         421.48

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

_cell_length_a                   9.0805(9)
_cell_length_b                   10.1637(10)
_cell_length_c                   23.374(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2157.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    6745
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.05

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_F_000             888
_exptl_transmission_factor_min   0.769
_exptl_transmission_factor_max   0.857
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.083
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   Mo
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58537
_diffrn_reflns_av_unetI/netI     0.0972
_diffrn_reflns_av_R_equivalents  0.2120
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.185
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_full        24.993
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3805
_reflns_number_gt                2817
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.737
_reflns_Friedel_fraction_max     1.000
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0485P)²+4.2966P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_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   0(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3805
_refine_ls_number_parameters     279
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1373
_refine_ls_R_factor_gt           0.1007
_refine_ls_wR_factor_ref         0.1951
_refine_ls_wR_factor_gt          0.1796
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_restrained_S_all      1.118
_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
O1 O 0.9251(6) 0.6335(6) 1.1433(2) 0.0409(15) Uani 1 1 d . . . . .
O2 O 0.9958(5) 0.6432(5) 1.03080(19) 0.0288(13) Uani 1 1 d . . . . .
H2 H 1.039965 0.682425 1.056162 0.043 Uiso 1 1 d R U . . .
N1 N 0.8828(7) 0.5629(6) 0.9121(2) 0.0245(14) Uani 1 1 d . . . . .
N2 N 0.7206(7) 0.7276(6) 0.9143(3) 0.0257(15) Uani 1 1 d . . . . .
N3 N 1.1994(9) 0.5443(9) 0.9111(4) 0.063(2) Uani 1 1 d . . . . .
C1 C 0.8127(9) 0.6100(8) 1.1047(3) 0.0250(18) Uani 1 1 d . . . . .
C007 C 0.7830(7) 0.6336(7) 0.9438(3) 0.0192(16) Uani 1 1 d . . . . .
C2 C 0.6694(9) 0.5805(9) 1.1189(3) 0.039(2) Uani 1 1 d . . . . .
H2A H 0.643068 0.570840 1.157130 0.047 Uiso 1 1 calc R U . . .
C3 C 0.5657(9) 0.5653(9) 1.0771(3) 0.040(2) Uani 1 1 d . . . . .
H3 H 0.468704 0.547214 1.087221 0.048 Uiso 1 1 calc R U . . .
C4 C 0.6031(9) 0.5766(8) 1.0201(3) 0.035(2) Uani 1 1 d . . . . .
H4 H 0.532182 0.564730 0.991838 0.042 Uiso 1 1 calc R U . . .
C5 C 0.7476(8) 0.6059(7) 1.0052(3) 0.0231(17) Uani 1 1 d . . . . .
C6 C 0.8541(8) 0.6198(7) 1.0475(3) 0.0230(17) Uani 1 1 d . . . . .
C7 C 0.9539(8) 0.4402(8) 0.9314(3) 0.0237(17) Uani 1 1 d . . . . .
H7 H 0.957531 0.445337 0.973212 0.028 Uiso 1 1 calc R U . . .
C8 C 0.8835(8) 0.6186(7) 0.8583(3) 0.0230(17) Uani 1 1 d . . . . .
C9 C 0.7852(8) 0.7219(7) 0.8608(3) 0.0216(17) Uani 1 1 d . . . . .
C10 C 0.7666(9) 0.8028(9) 0.8135(3) 0.036(2) Uani 1 1 d . . . . .
H10 H 0.701640 0.873480 0.814727 0.043 Uiso 1 1 calc R U . . .
C11 C 0.8458(10) 0.7763(8) 0.7647(4) 0.038(2) Uani 1 1 d . . . . .
H11 H 0.835189 0.830565 0.732939 0.046 Uiso 1 1 calc R U . . .
C12 C 0.9401(10) 0.6714(9) 0.7622(3) 0.041(2) Uani 1 1 d . . . . .
H12 H 0.990624 0.654936 0.728356 0.049 Uiso 1 1 calc R U . . .
C13 C 0.9627(9) 0.5890(9) 0.8086(3) 0.036(2) Uani 1 1 d . . . . .
H13 H 1.026954 0.517907 0.806824 0.044 Uiso 1 1 calc R U . . .
C14 C 1.3503(10) 0.5334(10) 0.8954(4) 0.046(3) Uani 1 1 d . . . . .
H14 H 1.410204 0.607558 0.894811 0.055 Uiso 1 1 calc R U . . .
C15 C 1.4071(10) 0.4117(10) 0.8810(4) 0.047(2) Uani 1 1 d . . . . .
H15 H 1.505604 0.403596 0.870741 0.057 Uiso 1 1 calc R U . . .
C16 C 1.3185(10) 0.3036(10) 0.8819(4) 0.044(2) Uani 1 1 d . . . . .
H16 H 1.358191 0.222105 0.872501 0.053 Uiso 1 1 calc R U . . .
C17 C 1.1725(10) 0.3117(9) 0.8962(3) 0.036(2) Uani 1 1 d . . . . .
H17 H 1.113727 0.236828 0.895623 0.043 Uiso 1 1 calc R U . . .
C18 C 1.1137(8) 0.4307(8) 0.9115(3) 0.0226(17) Uani 1 1 d . . . . .
C19 C 0.8616(5) 0.3253(4) 0.9179(2) 0.0261(18) Uani 1 1 d G . . . .
C20 C 0.8124(7) 0.2403(6) 0.96041(16) 0.050(3) Uani 1 1 d G . . . .
H20 H 0.839375 0.254281 0.998298 0.060 Uiso 1 1 calc R U . . .
C21 C 0.7228(7) 0.1343(5) 0.9462(2) 0.060(3) Uani 1 1 d G . . . .
H21 H 0.689812 0.077393 0.974644 0.072 Uiso 1 1 calc R U . . .
C22 C 0.6824(6) 0.1133(5) 0.8896(3) 0.048(2) Uani 1 1 d G . . . .
H22 H 0.622435 0.042439 0.880116 0.057 Uiso 1 1 calc R U . . .
C23 C 0.7316(6) 0.1984(5) 0.84713(18) 0.051(3) Uani 1 1 d G . . . .
H23 H 0.704621 0.184373 0.809242 0.061 Uiso 1 1 calc R U . . .
C24 C 0.8212(6) 0.3044(5) 0.86131(18) 0.0266(18) Uani 1 1 d G U . . .
H24 H 0.854185 0.361262 0.832895 0.032 Uiso 1 1 calc R U . . .
C25 C 0.8876(12) 0.6534(11) 1.2030(4) 0.057(3) Uani 1 1 d . . . . .
H25A H 0.789895 0.691437 1.205809 0.068 Uiso 1 1 calc R U . . .
H25B H 0.956888 0.714380 1.220187 0.068 Uiso 1 1 calc R U . . .
C26 C 0.8915(14) 0.5279(12) 1.2341(4) 0.080(4) Uani 1 1 d . . . . .
H26A H 0.838466 0.462493 1.212775 0.120 Uiso 1 1 calc R U . . .
H26B H 0.846679 0.538846 1.270963 0.120 Uiso 1 1 calc R U . . .
H26C H 0.991872 0.500313 1.238777 0.120 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 C1 1.384(9) . ?
O1 C25 1.450(10) . ?
O2 C6 1.366(8) . ?
O2 H2 0.8193 . ?
N1 C007 1.374(9) . ?
N1 C8 1.379(9) . ?
N1 C7 1.475(9) . ?
N2 C007 1.308(9) . ?
N2 C9 1.381(9) . ?
N3 C18 1.393(11) . ?
N3 C14 1.423(12) . ?
C1 C2 1.376(11) . ?
C1 C6 1.392(10) . ?
C007 C5 1.496(10) . ?
C2 C3 1.365(11) . ?
C2 H2A 0.9300 . ?
C3 C4 1.381(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(10) . ?
C7 C19 1.471(8) . ?
C7 C18 1.527(10) . ?
C7 H7 0.9800 . ?
C8 C9 1.379(10) . ?
C8 C13 1.398(10) . ?
C9 C10 1.389(10) . ?
C10 C11 1.374(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.369(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(11) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.382(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.361(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.369(11) . ?
C17 H17 0.9300 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.468(14) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C1 O1 C25 118.6(6) . . ?
C6 O2 H2 109.8 . . ?
C007 N1 C8 106.3(6) . . ?
C007 N1 C7 124.4(6) . . ?
C8 N1 C7 128.6(6) . . ?
C007 N2 C9 105.3(6) . . ?
C18 N3 C14 118.3(9) . . ?
C2 C1 O1 125.3(6) . . ?
C2 C1 C6 120.2(7) . . ?
O1 C1 C6 114.5(7) . . ?
N2 C007 N1 112.5(6) . . ?
N2 C007 C5 123.4(6) . . ?
N1 C007 C5 124.1(6) . . ?
C3 C2 C1 120.3(7) . . ?
C3 C2 H2A 119.9 . . ?
C1 C2 H2A 119.9 . . ?
C2 C3 C4 120.8(8) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 119.5(8) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.0(7) . . ?
C4 C5 C007 118.9(7) . . ?
C6 C5 C007 120.9(6) . . ?
O2 C6 C5 117.9(6) . . ?
O2 C6 C1 122.8(7) . . ?
C5 C6 C1 119.2(7) . . ?
C19 C7 N1 110.9(5) . . ?
C19 C7 C18 115.3(6) . . ?
N1 C7 C18 112.1(6) . . ?
C19 C7 H7 105.9 . . ?
N1 C7 H7 105.9 . . ?
C18 C7 H7 105.9 . . ?
C9 C8 N1 105.7(6) . . ?
C9 C8 C13 122.2(7) . . ?
N1 C8 C13 132.1(7) . . ?
C8 C9 N2 110.2(6) . . ?
C8 C9 C10 119.7(7) . . ?
N2 C9 C10 130.1(7) . . ?
C11 C10 C9 118.8(8) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C12 C11 C10 121.0(8) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 122.0(8) . . ?
C11 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C12 C13 C8 116.4(7) . . ?
C12 C13 H13 121.8 . . ?
C8 C13 H13 121.8 . . ?
C15 C14 N3 119.5(9) . . ?
C15 C14 H14 120.2 . . ?
N3 C14 H14 120.2 . . ?
C16 C15 C14 119.9(8) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 121.8(9) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C18 C17 C16 119.6(9) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 N3 120.8(7) . . ?
C17 C18 C7 120.4(7) . . ?
N3 C18 C7 118.7(7) . . ?
C20 C19 C24 120.0 . . ?
C20 C19 C7 121.6(4) . . ?
C24 C19 C7 118.4(4) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
O1 C25 C26 110.4(9) . . ?
O1 C25 H25A 109.6 . . ?
C26 C25 H25A 109.6 . . ?
O1 C25 H25B 109.6 . . ?
C26 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
C25 O1 C1 C2 -12.2(13) . . . . ?
C25 O1 C1 C6 167.1(8) . . . . ?
C9 N2 C007 N1 -1.9(8) . . . . ?
C9 N2 C007 C5 178.8(6) . . . . ?
C8 N1 C007 N2 0.6(8) . . . . ?
C7 N1 C007 N2 -170.9(6) . . . . ?
C8 N1 C007 C5 179.9(7) . . . . ?
C7 N1 C007 C5 8.4(11) . . . . ?
O1 C1 C2 C3 176.8(8) . . . . ?
C6 C1 C2 C3 -2.4(14) . . . . ?
C1 C2 C3 C4 1.3(15) . . . . ?
C2 C3 C4 C5 -1.1(14) . . . . ?
C3 C4 C5 C6 1.9(12) . . . . ?
C3 C4 C5 C007 -172.8(8) . . . . ?
N2 C007 C5 C4 58.1(10) . . . . ?
N1 C007 C5 C4 -121.1(8) . . . . ?
N2 C007 C5 C6 -116.5(8) . . . . ?
N1 C007 C5 C6 64.2(10) . . . . ?
C4 C5 C6 O2 177.4(7) . . . . ?
C007 C5 C6 O2 -8.0(11) . . . . ?
C4 C5 C6 C1 -3.0(11) . . . . ?
C007 C5 C6 C1 171.7(7) . . . . ?
C2 C1 C6 O2 -177.1(8) . . . . ?
O1 C1 C6 O2 3.5(11) . . . . ?
C2 C1 C6 C5 3.2(12) . . . . ?
O1 C1 C6 C5 -176.1(7) . . . . ?
C007 N1 C7 C19 86.5(8) . . . . ?
C8 N1 C7 C19 -83.0(8) . . . . ?
C007 N1 C7 C18 -143.1(6) . . . . ?
C8 N1 C7 C18 47.4(10) . . . . ?
C007 N1 C8 C9 1.0(7) . . . . ?
C7 N1 C8 C9 172.0(7) . . . . ?
C007 N1 C8 C13 179.7(8) . . . . ?
C7 N1 C8 C13 -9.3(13) . . . . ?
N1 C8 C9 N2 -2.2(8) . . . . ?
C13 C8 C9 N2 178.9(7) . . . . ?
N1 C8 C9 C10 176.7(7) . . . . ?
C13 C8 C9 C10 -2.2(11) . . . . ?
C007 N2 C9 C8 2.5(8) . . . . ?
C007 N2 C9 C10 -176.2(8) . . . . ?
C8 C9 C10 C11 0.8(12) . . . . ?
N2 C9 C10 C11 179.5(8) . . . . ?
C9 C10 C11 C12 0.9(13) . . . . ?
C10 C11 C12 C13 -1.4(14) . . . . ?
C11 C12 C13 C8 0.1(13) . . . . ?
C9 C8 C13 C12 1.6(12) . . . . ?
N1 C8 C13 C12 -176.9(8) . . . . ?
C18 N3 C14 C15 0.1(13) . . . . ?
N3 C14 C15 C16 0.1(14) . . . . ?
C14 C15 C16 C17 0.6(14) . . . . ?
C15 C16 C17 C18 -1.6(13) . . . . ?
C16 C17 C18 N3 1.8(12) . . . . ?
C16 C17 C18 C7 -176.0(7) . . . . ?
C14 N3 C18 C17 -1.1(12) . . . . ?
C14 N3 C18 C7 176.8(7) . . . . ?
C19 C7 C18 C17 -16.0(9) . . . . ?
N1 C7 C18 C17 -144.1(7) . . . . ?
C19 C7 C18 N3 166.2(6) . . . . ?
N1 C7 C18 N3 38.0(9) . . . . ?
N1 C7 C19 C20 -121.6(5) . . . . ?
C18 C7 C19 C20 109.7(6) . . . . ?
N1 C7 C19 C24 57.1(6) . . . . ?
C18 C7 C19 C24 -71.6(7) . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C7 C19 C20 C21 178.6(6) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C7 C19 C24 C23 -178.7(5) . . . . ?
C1 O1 C25 C26 91.6(10) . . . . ?

_refine_diff_density_max         0.392
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.064



