# Supplementary Information (SI) for ChemComm.
# 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. 
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data_KB1656_0m
_database_code_depnum_ccdc_archive 'CCDC 2410467'
loop_
_audit_author_name
_audit_author_address
'sunil Kumar Nechipadappu'
;CSIR Indian Institute of Chemical Technology
India
;
_audit_update_record             
;
2024-12-16 deposited with the CCDC.	2025-05-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        
3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
_chemical_name_common            
3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H23 N O Se'
_chemical_formula_sum            'C25 H23 N O Se'
_chemical_formula_weight         432.40

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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.2189(5)
_cell_length_b                   10.9073(7)
_cell_length_c                   11.3585(8)
_cell_angle_alpha                97.835(2)
_cell_angle_beta                 101.293(2)
_cell_angle_gamma                106.0793(19)
_cell_volume                     1053.97(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    7874
_cell_measurement_theta_min      2.3715
_cell_measurement_theta_max      26.211

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             444
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.796
_shelx_estimated_absorpt_T_min   0.693
_shelx_estimated_absorpt_T_max   0.774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5431
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       'ω and φ'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15679
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_av_R_equivalents  0.0456
_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       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.434
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             3675
_reflns_number_gt                2984
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0477P)²+0.1799P] 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_number_reflns         3675
_refine_ls_number_parameters     265
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0359
_refine_ls_wR_factor_ref         0.0930
_refine_ls_wR_factor_gt          0.0859
_refine_ls_goodness_of_fit_ref   1.042
_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
C1 C 0.7920(3) 0.9926(2) 0.5868(2) 0.0582(6) Uani 1 1 d . . . . .
H1 H 0.854081 0.977034 0.534723 0.070 Uiso 1 1 calc R U . . .
C2 C 0.8493(3) 1.0979(3) 0.6828(3) 0.0690(7) Uani 1 1 d . . . . .
H2 H 0.950319 1.152915 0.694851 0.083 Uiso 1 1 calc R U . . .
C3 C 0.7611(3) 1.1238(3) 0.7612(3) 0.0716(8) Uani 1 1 d . . . . .
H3 H 0.800963 1.195754 0.825674 0.086 Uiso 1 1 calc R U . . .
C4 C 0.6125(3) 1.0411(3) 0.7424(3) 0.0722(8) Uani 1 1 d . . . . .
H4 H 0.551797 1.056919 0.795546 0.087 Uiso 1 1 calc R U . . .
C5 C 0.5517(3) 0.9354(3) 0.6467(2) 0.0590(6) Uani 1 1 d . . . . .
H5 H 0.450327 0.881278 0.635137 0.071 Uiso 1 1 calc R U . . .
C6 C 0.6408(3) 0.9091(2) 0.5673(2) 0.0471(5) Uani 1 1 d . . . . .
C7 C 0.4161(3) 0.7147(2) 0.4516(2) 0.0492(6) Uani 1 1 d . . . . .
H7A H 0.343105 0.763411 0.436763 0.059 Uiso 1 1 calc R U . . .
H7B H 0.403575 0.676780 0.522882 0.059 Uiso 1 1 calc R U . . .
C8 C 0.3907(2) 0.6105(2) 0.3409(2) 0.0449(5) Uani 1 1 d . . . . .
C9 C 0.5396(3) 0.6337(2) 0.2978(2) 0.0530(6) Uani 1 1 d . . . . .
C10 C 0.6460(3) 0.7603(2) 0.3822(2) 0.0545(6) Uani 1 1 d . . . . .
C11 C 0.6206(4) 0.5308(3) 0.3222(4) 0.1030(12) Uani 1 1 d . . . . .
H11A H 0.560311 0.448859 0.268701 0.155 Uiso 1 1 calc R U . . .
H11B H 0.629428 0.521422 0.405939 0.155 Uiso 1 1 calc R U . . .
H11C H 0.722547 0.557790 0.307340 0.155 Uiso 1 1 calc R U . . .
C12 C 0.5219(4) 0.6510(4) 0.1651(3) 0.0892(10) Uani 1 1 d . . . . .
H12A H 0.622931 0.687277 0.151023 0.134 Uiso 1 1 calc R U . . .
H12B H 0.461388 0.708562 0.150039 0.134 Uiso 1 1 calc R U . . .
H12C H 0.470232 0.567834 0.110939 0.134 Uiso 1 1 calc R U . . .
C13 C 0.2561(3) 0.5166(2) 0.2920(2) 0.0454(5) Uani 1 1 d . . . . .
C14 C 0.2219(2) 0.4109(2) 0.1842(2) 0.0449(5) Uani 1 1 d . . . . .
C15 C 0.2422(3) 0.2925(3) 0.1976(2) 0.0613(7) Uani 1 1 d . . . . .
H15 H 0.282572 0.279595 0.274946 0.074 Uiso 1 1 calc R U . . .
C16 C 0.2024(4) 0.1924(3) 0.0956(3) 0.0768(8) Uani 1 1 d . . . . .
H16 H 0.215310 0.112521 0.105536 0.092 Uiso 1 1 calc R U . . .
C17 C 0.1449(3) 0.2099(3) -0.0184(3) 0.0713(8) Uani 1 1 d . . . . .
H17 H 0.119637 0.142714 -0.086147 0.086 Uiso 1 1 calc R U . . .
C18 C 0.1244(3) 0.3271(3) -0.0329(2) 0.0610(7) Uani 1 1 d . . . . .
H18 H 0.085724 0.339800 -0.110768 0.073 Uiso 1 1 calc R U . . .
C19 C 0.1609(3) 0.4262(2) 0.0675(2) 0.0516(6) Uani 1 1 d . . . . .
H19 H 0.144353 0.504692 0.056908 0.062 Uiso 1 1 calc R U . . .
C20 C -0.0559(3) 0.3492(2) 0.2913(2) 0.0503(6) Uani 1 1 d . . . . .
C21 C -0.1638(3) 0.3284(3) 0.1820(3) 0.0673(7) Uani 1 1 d . . . . .
H21 H -0.172787 0.398415 0.145822 0.081 Uiso 1 1 calc R U . . .
C22 C -0.2581(4) 0.2046(4) 0.1264(3) 0.0959(11) Uani 1 1 d . . . . .
H22 H -0.331425 0.190720 0.052905 0.115 Uiso 1 1 calc R U . . .
C23 C -0.2444(5) 0.1020(4) 0.1786(5) 0.1072(14) Uani 1 1 d . . . . .
H23 H -0.305616 0.017856 0.138833 0.129 Uiso 1 1 calc R U . . .
C24 C -0.1426(6) 0.1214(4) 0.2878(5) 0.1057(13) Uani 1 1 d . . . . .
H24 H -0.136154 0.050942 0.324008 0.127 Uiso 1 1 calc R U . . .
C25 C -0.0478(4) 0.2460(3) 0.3459(3) 0.0787(9) Uani 1 1 d . . . . .
H25 H 0.021074 0.259540 0.421611 0.094 Uiso 1 1 calc R U . . .
N1 N 0.5760(2) 0.79869(18) 0.46957(17) 0.0462(4) Uani 1 1 d . . . . .
O1 O 0.7762(2) 0.81649(19) 0.3725(2) 0.0855(6) Uani 1 1 d . . . . .
Se1 Se 0.08094(16) 0.52348(16) 0.36166(16) 0.0639(4) Uani 0.807(14) 1 d . U P A
1
Se1D Se 0.0904(10) 0.5059(13) 0.3747(8) 0.097(2) Uani 0.193(14) 1 d . U P A 2


_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 1.372(4) . ?
C1 C6 1.394(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.370(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(3) . ?
C5 H5 0.9300 . ?
C6 N1 1.420(3) . ?
C7 N1 1.462(3) . ?
C7 C8 1.508(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C13 1.330(3) . ?
C8 C9 1.515(3) . ?
C9 C10 1.518(3) . ?
C9 C12 1.527(4) . ?
C9 C11 1.537(4) . ?
C10 O1 1.221(3) . ?
C10 N1 1.365(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.480(3) . ?
C13 Se1D 1.930(6) . ?
C13 Se1 1.947(2) . ?
C14 C15 1.379(3) . ?
C14 C19 1.386(3) . ?
C15 C16 1.391(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.360(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.370(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.376(3) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.369(4) . ?
C20 C21 1.378(4) . ?
C20 Se1D 1.849(8) . ?
C20 Se1 1.925(3) . ?
C21 C22 1.372(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.360(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.352(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.385(5) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?

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 120.0(2) . . ?
C2 C1 H1 120.0 . . ?
C6 C1 H1 120.0 . . ?
C3 C2 C1 121.6(3) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 118.4(3) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C3 C4 C5 121.3(3) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 H4 119.3 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 118.4(2) . . ?
C5 C6 N1 119.3(2) . . ?
C1 C6 N1 122.2(2) . . ?
N1 C7 C8 104.65(17) . . ?
N1 C7 H7A 110.8 . . ?
C8 C7 H7A 110.8 . . ?
N1 C7 H7B 110.8 . . ?
C8 C7 H7B 110.8 . . ?
H7A C7 H7B 108.9 . . ?
C13 C8 C7 123.40(19) . . ?
C13 C8 C9 127.7(2) . . ?
C7 C8 C9 108.85(18) . . ?
C8 C9 C10 103.30(19) . . ?
C8 C9 C12 114.4(2) . . ?
C10 C9 C12 109.0(2) . . ?
C8 C9 C11 112.5(2) . . ?
C10 C9 C11 105.7(2) . . ?
C12 C9 C11 111.2(3) . . ?
O1 C10 N1 126.0(2) . . ?
O1 C10 C9 123.7(2) . . ?
N1 C10 C9 110.3(2) . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 C14 126.73(19) . . ?
C8 C13 Se1D 117.9(3) . . ?
C14 C13 Se1D 115.1(3) . . ?
C8 C13 Se1 117.28(17) . . ?
C14 C13 Se1 115.87(16) . . ?
C15 C14 C19 118.2(2) . . ?
C15 C14 C13 121.1(2) . . ?
C19 C14 C13 120.6(2) . . ?
C14 C15 C16 120.1(2) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 119.6(3) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C17 C18 C19 120.1(3) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 121.1(2) . . ?
C18 C19 H19 119.4 . . ?
C14 C19 H19 119.4 . . ?
C25 C20 C21 119.4(3) . . ?
C25 C20 Se1D 114.0(6) . . ?
C21 C20 Se1D 126.6(6) . . ?
C25 C20 Se1 122.1(2) . . ?
C21 C20 Se1 118.5(2) . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 120.1(4) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 119.8(3) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C10 N1 C6 126.9(2) . . ?
C10 N1 C7 112.65(19) . . ?
C6 N1 C7 120.37(18) . . ?
C20 Se1 C13 99.13(11) . . ?
C20 Se1D C13 102.5(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
C6 C1 C2 C3 0.0(4) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C3 C4 C5 -0.8(4) . . . . ?
C3 C4 C5 C6 0.8(4) . . . . ?
C4 C5 C6 C1 -0.4(4) . . . . ?
C4 C5 C6 N1 179.5(2) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
C2 C1 C6 N1 -179.8(2) . . . . ?
N1 C7 C8 C13 -177.6(2) . . . . ?
N1 C7 C8 C9 1.5(2) . . . . ?
C13 C8 C9 C10 175.1(2) . . . . ?
C7 C8 C9 C10 -4.0(2) . . . . ?
C13 C8 C9 C12 56.8(3) . . . . ?
C7 C8 C9 C12 -122.4(2) . . . . ?
C13 C8 C9 C11 -71.4(3) . . . . ?
C7 C8 C9 C11 109.5(3) . . . . ?
C8 C9 C10 O1 -175.8(2) . . . . ?
C12 C9 C10 O1 -53.8(3) . . . . ?
C11 C9 C10 O1 65.8(3) . . . . ?
C8 C9 C10 N1 5.3(3) . . . . ?
C12 C9 C10 N1 127.4(2) . . . . ?
C11 C9 C10 N1 -113.0(2) . . . . ?
C7 C8 C13 C14 -179.8(2) . . . . ?
C9 C8 C13 C14 1.2(4) . . . . ?
C7 C8 C13 Se1D -5.0(7) . . . . ?
C9 C8 C13 Se1D 176.0(6) . . . . ?
C7 C8 C13 Se1 4.3(3) . . . . ?
C9 C8 C13 Se1 -174.69(19) . . . . ?
C8 C13 C14 C15 91.3(3) . . . . ?
Se1D C13 C14 C15 -83.6(6) . . . . ?
Se1 C13 C14 C15 -92.7(2) . . . . ?
C8 C13 C14 C19 -92.1(3) . . . . ?
Se1D C13 C14 C19 93.0(6) . . . . ?
Se1 C13 C14 C19 83.9(2) . . . . ?
C19 C14 C15 C16 0.3(4) . . . . ?
C13 C14 C15 C16 176.9(2) . . . . ?
C14 C15 C16 C17 0.7(4) . . . . ?
C15 C16 C17 C18 -0.7(4) . . . . ?
C16 C17 C18 C19 -0.4(4) . . . . ?
C17 C18 C19 C14 1.4(4) . . . . ?
C15 C14 C19 C18 -1.4(3) . . . . ?
C13 C14 C19 C18 -178.1(2) . . . . ?
C25 C20 C21 C22 -2.4(4) . . . . ?
Se1D C20 C21 C22 175.4(4) . . . . ?
Se1 C20 C21 C22 176.9(2) . . . . ?
C20 C21 C22 C23 -0.5(5) . . . . ?
C21 C22 C23 C24 2.6(6) . . . . ?
C22 C23 C24 C25 -1.9(6) . . . . ?
C21 C20 C25 C24 3.1(4) . . . . ?
Se1D C20 C25 C24 -174.9(3) . . . . ?
Se1 C20 C25 C24 -176.1(2) . . . . ?
C23 C24 C25 C20 -1.0(5) . . . . ?
O1 C10 N1 C6 -1.3(4) . . . . ?
C9 C10 N1 C6 177.5(2) . . . . ?
O1 C10 N1 C7 176.4(2) . . . . ?
C9 C10 N1 C7 -4.8(3) . . . . ?
C5 C6 N1 C10 178.6(2) . . . . ?
C1 C6 N1 C10 -1.5(3) . . . . ?
C5 C6 N1 C7 1.0(3) . . . . ?
C1 C6 N1 C7 -179.2(2) . . . . ?
C8 C7 N1 C10 2.0(2) . . . . ?
C8 C7 N1 C6 179.93(18) . . . . ?
C25 C20 Se1D C13 95.3(6) . . . . ?
C21 C20 Se1D C13 -82.5(8) . . . . ?

_refine_diff_density_max         0.414
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.051



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
