# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_sb_c_145_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2279618'
loop_
_audit_author_name
_audit_author_address
'Subhamoy Biswas'
;Indian Institute of Technology Guwahati
India
;
_audit_update_record             
;
2023-07-05 deposited with the CCDC.	2023-11-08 downloaded from the CCDC.
;
_audit_creation_date             2023-06-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H24 N2 O2'
_chemical_formula_sum            'C26 H24 N2 O2'
_chemical_formula_weight         396.47
_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'
O O 0.0106 0.0060 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.1441(13)
_cell_length_b                   10.4866(11)
_cell_length_c                   21.897(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.791(3)
_cell_angle_gamma                90
_cell_volume                     2762.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9831
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.16
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6596
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1488 before and 0.0547 after correction.
The Ratio of minimum to maximum transmission is 0.8849.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    0.953
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            62523
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.044
_diffrn_ambient_temperature      298.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3680
_reflns_number_total             4835
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.131
_refine_diff_density_min         -0.170
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4835
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0528
_refine_ls_restrained_S_all      1.061
_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)+(0.0939P)²+0.5925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1520
_refine_ls_wR_factor_ref         0.1771
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C16(H16A,H16B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C19(H19), C2(H2), C5(H5), C21(H21), C14(H14), C10(H10), C3(H3),
 C22(H22), C4(H4), C25(H25), C11(H11), C13(H13), C24(H24)
2.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
O2 O 0.72277(10) 0.13779(12) 0.69499(6) 0.0615(3) Uani 1 1 d . . . . .
O1 O 0.54777(13) 0.16063(13) 0.51731(6) 0.0773(4) Uani 1 1 d . . . . .
N2 N 0.57897(12) 0.20693(13) 0.61972(6) 0.0556(4) Uani 1 1 d . . . . .
N1 N 0.52030(14) 0.00561(15) 0.58496(7) 0.0679(5) Uani 1 1 d . . . . .
H1 H 0.508550 -0.048463 0.555257 0.081 Uiso 1 1 calc R U . . .
C18 C 0.58688(14) 0.27022(16) 0.72926(7) 0.0529(4) Uani 1 1 d . . . . .
C8 C 0.60495(14) 0.16431(16) 0.68369(7) 0.0521(4) Uani 1 1 d . . . . .
C1 C 0.54311(13) 0.04273(16) 0.69361(8) 0.0532(4) Uani 1 1 d . . . . .
C6 C 0.50771(15) -0.03582(17) 0.64366(8) 0.0578(4) Uani 1 1 d . . . . .
C9 C 0.61436(16) 0.33377(17) 0.60478(7) 0.0571(5) Uani 1 1 d . . . . .
C19 C 0.48715(15) 0.31985(18) 0.73083(8) 0.0593(5) Uani 1 1 d . . . . .
H19 H 0.431578 0.285672 0.702090 0.071 Uiso 1 1 calc R U . . .
C7 C 0.54989(16) 0.12565(18) 0.57125(8) 0.0601(5) Uani 1 1 d . . . . .
C20 C 0.44914(15) 0.41941(18) 0.77007(8) 0.0587(5) Uani 1 1 d . . . . .
C2 C 0.52767(16) 0.00153(19) 0.75210(9) 0.0637(5) Uani 1 1 d . . . . .
H2 H 0.549331 0.053862 0.785886 0.076 Uiso 1 1 calc R U . . .
C5 C 0.46031(17) -0.15394(18) 0.65266(10) 0.0685(5) Uani 1 1 d . . . . .
H5 H 0.437445 -0.206364 0.619071 0.082 Uiso 1 1 calc R U . . .
C17 C 0.69593(16) 0.2938(2) 0.76829(10) 0.0694(5) Uani 1 1 d . . . . .
H17A H 0.687015 0.298405 0.811591 0.083 Uiso 1 1 calc R U . . .
H17B H 0.729455 0.372434 0.756447 0.083 Uiso 1 1 calc R U . . .
C21 C 0.51837(17) 0.49772(19) 0.80960(9) 0.0676(5) Uani 1 1 d . . . . .
H21 H 0.595077 0.489442 0.811965 0.081 Uiso 1 1 calc R U . . .
C14 C 0.72461(19) 0.3638(2) 0.60718(10) 0.0751(6) Uani 1 1 d . . . . .
H14 H 0.778857 0.302906 0.619326 0.090 Uiso 1 1 calc R U . . .
C16 C 0.76529(17) 0.1796(2) 0.75550(10) 0.0753(6) Uani 1 1 d . . . . .
H16A H 0.842937 0.203292 0.757623 0.090 Uiso 1 1 calc R U . . .
H16B H 0.758777 0.112610 0.785331 0.090 Uiso 1 1 calc R U . . .
C10 C 0.5355(2) 0.4259(2) 0.58679(10) 0.0750(6) Uani 1 1 d . . . . .
H10 H 0.460400 0.406663 0.585410 0.090 Uiso 1 1 calc R U . . .
C3 C 0.48079(18) -0.1156(2) 0.76099(10) 0.0726(6) Uani 1 1 d . . . . .
H3 H 0.471848 -0.142165 0.800548 0.087 Uiso 1 1 calc R U . . .
C22 C 0.4743(2) 0.5874(2) 0.84523(10) 0.0759(6) Uani 1 1 d . . . . .
H22 H 0.522479 0.638525 0.871261 0.091 Uiso 1 1 calc R U . . .
C23 C 0.3615(2) 0.6043(2) 0.84385(10) 0.0745(6) Uani 1 1 d . . . . .
C4 C 0.44720(17) -0.1934(2) 0.71122(10) 0.0718(5) Uani 1 1 d . . . . .
H4 H 0.415678 -0.272446 0.717167 0.086 Uiso 1 1 calc R U . . .
C12 C 0.6766(2) 0.5781(2) 0.57271(10) 0.0809(6) Uani 1 1 d . . . . .
C25 C 0.33539(17) 0.4393(2) 0.76789(11) 0.0797(6) Uani 1 1 d . . . . .
H25 H 0.286498 0.390238 0.741179 0.096 Uiso 1 1 calc R U . . .
C11 C 0.5672(2) 0.5465(2) 0.57081(10) 0.0849(7) Uani 1 1 d . . . . .
H11 H 0.513018 0.607320 0.558512 0.102 Uiso 1 1 calc R U . . .
C13 C 0.7549(2) 0.4865(2) 0.59127(11) 0.0889(7) Uani 1 1 d . . . . .
H13 H 0.829861 0.506678 0.593277 0.107 Uiso 1 1 calc R U . . .
C24 C 0.2931(2) 0.5292(2) 0.80399(11) 0.0852(7) Uani 1 1 d . . . . .
H24 H 0.216549 0.539235 0.801318 0.102 Uiso 1 1 calc R U . . .
C26 C 0.3147(3) 0.7029(3) 0.88367(13) 0.1060(9) Uani 1 1 d . . . . .
H26A H 0.312956 0.784489 0.863679 0.159 Uiso 1 1 calc R U . . .
H26B H 0.360723 0.707861 0.922857 0.159 Uiso 1 1 calc R U . . .
H26C H 0.240646 0.678944 0.889738 0.159 Uiso 1 1 calc R U . . .
C15 C 0.7114(3) 0.7102(3) 0.55419(14) 0.1171(10) Uani 1 1 d . . . . .
H15A H 0.686363 0.723640 0.511185 0.176 Uiso 1 1 calc R U . . .
H15B H 0.790947 0.717098 0.561630 0.176 Uiso 1 1 calc R U . . .
H15C H 0.678968 0.773239 0.578044 0.176 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
O2 C8 1.446(2) . ?
O2 C16 1.425(2) . ?
O1 C7 1.234(2) . ?
N2 C8 1.463(2) . ?
N2 C9 1.449(2) . ?
N2 C7 1.370(2) . ?
N1 H1 0.8600 . ?
N1 C6 1.385(2) . ?
N1 C7 1.354(2) . ?
C18 C8 1.529(2) . ?
C18 C19 1.323(3) . ?
C18 C17 1.496(3) . ?
C8 C1 1.510(2) . ?
C1 C6 1.390(2) . ?
C1 C2 1.388(2) . ?
C6 C5 1.391(3) . ?
C9 C14 1.370(3) . ?
C9 C10 1.380(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.466(3) . ?
C20 C21 1.390(3) . ?
C20 C25 1.391(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.379(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.377(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C16 1.512(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.376(3) . ?
C14 H14 0.9300 . ?
C14 C13 1.395(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C10 H10 0.9300 . ?
C10 C11 1.381(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.378(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.377(3) . ?
C23 C24 1.369(3) . ?
C23 C26 1.513(3) . ?
C4 H4 0.9300 . ?
C12 C11 1.365(4) . ?
C12 C13 1.373(4) . ?
C12 C15 1.519(3) . ?
C25 H25 0.9300 . ?
C25 C24 1.374(3) . ?
C11 H11 0.9300 . ?
C13 H13 0.9300 . ?
C24 H24 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 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
C16 O2 C8 108.99(13) . . ?
C9 N2 C8 117.67(13) . . ?
C7 N2 C8 123.45(15) . . ?
C7 N2 C9 116.72(14) . . ?
C6 N1 H1 117.9 . . ?
C7 N1 H1 117.9 . . ?
C7 N1 C6 124.29(15) . . ?
C19 C18 C8 121.04(15) . . ?
C19 C18 C17 131.50(17) . . ?
C17 C18 C8 107.39(15) . . ?
O2 C8 N2 107.60(13) . . ?
O2 C8 C18 104.74(13) . . ?
O2 C8 C1 108.23(13) . . ?
N2 C8 C18 111.81(14) . . ?
N2 C8 C1 110.40(13) . . ?
C1 C8 C18 113.66(14) . . ?
C6 C1 C8 119.60(15) . . ?
C2 C1 C8 121.83(16) . . ?
C2 C1 C6 118.39(17) . . ?
N1 C6 C1 118.89(16) . . ?
N1 C6 C5 120.71(17) . . ?
C1 C6 C5 120.40(17) . . ?
C14 C9 N2 121.39(17) . . ?
C14 C9 C10 119.17(19) . . ?
C10 C9 N2 119.44(18) . . ?
C18 C19 H19 114.4 . . ?
C18 C19 C20 131.11(17) . . ?
C20 C19 H19 114.4 . . ?
O1 C7 N2 121.77(17) . . ?
O1 C7 N1 121.13(16) . . ?
N1 C7 N2 117.07(16) . . ?
C21 C20 C19 125.00(17) . . ?
C21 C20 C25 116.53(18) . . ?
C25 C20 C19 118.46(17) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.17(19) . . ?
C3 C2 H2 119.4 . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.10(18) . . ?
C4 C5 H5 119.9 . . ?
C18 C17 H17A 111.0 . . ?
C18 C17 H17B 111.0 . . ?
C18 C17 C16 103.61(15) . . ?
H17A C17 H17B 109.0 . . ?
C16 C17 H17A 111.0 . . ?
C16 C17 H17B 111.0 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.51(19) . . ?
C22 C21 H21 119.7 . . ?
C9 C14 H14 120.3 . . ?
C9 C14 C13 119.5(2) . . ?
C13 C14 H14 120.3 . . ?
O2 C16 C17 105.99(15) . . ?
O2 C16 H16A 110.5 . . ?
O2 C16 H16B 110.5 . . ?
C17 C16 H16A 110.5 . . ?
C17 C16 H16B 110.5 . . ?
H16A C16 H16B 108.7 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(2) . . ?
C11 C10 H10 119.8 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.93(19) . . ?
C4 C3 H3 120.0 . . ?
C21 C22 H22 118.7 . . ?
C21 C22 C23 122.5(2) . . ?
C23 C22 H22 118.7 . . ?
C22 C23 C26 121.7(2) . . ?
C24 C23 C22 117.09(19) . . ?
C24 C23 C26 121.2(2) . . ?
C5 C4 C3 120.00(19) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C11 C12 C13 118.1(2) . . ?
C11 C12 C15 121.2(3) . . ?
C13 C12 C15 120.7(3) . . ?
C20 C25 H25 119.0 . . ?
C24 C25 C20 122.0(2) . . ?
C24 C25 H25 119.0 . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.3(2) . . ?
C12 C11 H11 119.4 . . ?
C14 C13 H13 119.2 . . ?
C12 C13 C14 121.6(2) . . ?
C12 C13 H13 119.2 . . ?
C23 C24 C25 121.3(2) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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
O2 C8 C1 C6 -94.13(18) . . . . ?
O2 C8 C1 C2 80.85(19) . . . . ?
N2 C8 C1 C6 23.4(2) . . . . ?
N2 C8 C1 C2 -161.62(16) . . . . ?
N2 C9 C14 C13 178.77(18) . . . . ?
N2 C9 C10 C11 -178.32(18) . . . . ?
N1 C6 C5 C4 -179.30(18) . . . . ?
C18 C8 C1 C6 149.97(16) . . . . ?
C18 C8 C1 C2 -35.1(2) . . . . ?
C18 C19 C20 C21 10.3(3) . . . . ?
C18 C19 C20 C25 -170.2(2) . . . . ?
C18 C17 C16 O2 27.6(2) . . . . ?
C8 O2 C16 C17 -31.7(2) . . . . ?
C8 N2 C9 C14 67.3(2) . . . . ?
C8 N2 C9 C10 -113.71(19) . . . . ?
C8 N2 C7 O1 -166.86(17) . . . . ?
C8 N2 C7 N1 15.0(3) . . . . ?
C8 C18 C19 C20 179.24(17) . . . . ?
C8 C18 C17 C16 -14.1(2) . . . . ?
C8 C1 C6 N1 -6.4(2) . . . . ?
C8 C1 C6 C5 173.73(16) . . . . ?
C8 C1 C2 C3 -173.54(17) . . . . ?
C1 C6 C5 C4 0.6(3) . . . . ?
C1 C2 C3 C4 -0.8(3) . . . . ?
C6 N1 C7 O1 -171.85(18) . . . . ?
C6 N1 C7 N2 6.3(3) . . . . ?
C6 C1 C2 C3 1.5(3) . . . . ?
C6 C5 C4 C3 0.2(3) . . . . ?
C9 N2 C8 O2 -73.33(18) . . . . ?
C9 N2 C8 C18 41.2(2) . . . . ?
C9 N2 C8 C1 168.76(14) . . . . ?
C9 N2 C7 O1 -4.0(3) . . . . ?
C9 N2 C7 N1 177.85(16) . . . . ?
C9 C14 C13 C12 -0.5(4) . . . . ?
C9 C10 C11 C12 -0.4(3) . . . . ?
C19 C18 C8 O2 178.83(16) . . . . ?
C19 C18 C8 N2 62.6(2) . . . . ?
C19 C18 C8 C1 -63.2(2) . . . . ?
C19 C18 C17 C16 162.8(2) . . . . ?
C19 C20 C21 C22 -179.07(19) . . . . ?
C19 C20 C25 C24 178.9(2) . . . . ?
C7 N2 C8 O2 89.38(19) . . . . ?
C7 N2 C8 C18 -156.14(16) . . . . ?
C7 N2 C8 C1 -28.5(2) . . . . ?
C7 N2 C9 C14 -96.5(2) . . . . ?
C7 N2 C9 C10 82.4(2) . . . . ?
C7 N1 C6 C1 -10.2(3) . . . . ?
C7 N1 C6 C5 169.72(18) . . . . ?
C20 C21 C22 C23 0.0(3) . . . . ?
C20 C25 C24 C23 0.3(4) . . . . ?
C2 C1 C6 N1 178.50(16) . . . . ?
C2 C1 C6 C5 -1.4(3) . . . . ?
C2 C3 C4 C5 -0.1(3) . . . . ?
C17 C18 C8 O2 -3.87(18) . . . . ?
C17 C18 C8 N2 -120.10(16) . . . . ?
C17 C18 C8 C1 114.07(16) . . . . ?
C17 C18 C19 C20 2.7(4) . . . . ?
C21 C20 C25 C24 -1.7(3) . . . . ?
C21 C22 C23 C24 -1.4(3) . . . . ?
C21 C22 C23 C26 179.7(2) . . . . ?
C14 C9 C10 C11 0.6(3) . . . . ?
C16 O2 C8 N2 141.14(16) . . . . ?
C16 O2 C8 C18 22.02(18) . . . . ?
C16 O2 C8 C1 -99.55(16) . . . . ?
C10 C9 C14 C13 -0.2(3) . . . . ?
C22 C23 C24 C25 1.2(3) . . . . ?
C25 C20 C21 C22 1.5(3) . . . . ?
C11 C12 C13 C14 0.7(4) . . . . ?
C13 C12 C11 C10 -0.2(3) . . . . ?
C26 C23 C24 C25 -179.8(2) . . . . ?
C15 C12 C11 C10 179.1(2) . . . . ?
C15 C12 C13 C14 -178.6(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 -0.414 0.500 457.5 69.9 ?
2 0.500 -0.399 0.000 457.5 69.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethyl acetate and methanol'
