#------------------------------------------------------------------------------
#$Date: 2025-08-05 22:32:39 +0200 (Tue 05 de Aug de 2025) $
#$Revision: 301472 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/46/7134638.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7134638
loop_
_publ_author_name
'MohanaKrishna, Silari'
'Prasad, Vadla Shiva'
'Ranga Rao, Vadithya'
'Ravi, Dharavath'
'Kumar, Chelukalapally Anil'
'Adiyala, Praveen Reddy'
_publ_section_title
;
 Stereoselective synthesis of chalcogen-tethered γ-lactams
 via 5-exo-dig cyclisation under visible-light irradiation.
;
_journal_issue                   56
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              10363
_journal_page_last               10366
_journal_paper_doi               10.1039/d5cc01525a
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C25 H23 N O Se'
_chemical_formula_sum            'C25 H23 N O Se'
_chemical_formula_weight         432.40
_chemical_name_common
3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
_chemical_name_systematic
3,3-dimethyl-1-phenyl-4-(phenyl(phenylselanyl)methylene)pyrrolidin-2-one
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-12-16 deposited with the CCDC.	2025-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                97.835(2)
_cell_angle_beta                 101.293(2)
_cell_angle_gamma                106.0793(19)
_cell_formula_units_Z            2
_cell_length_a                   9.2189(5)
_cell_length_b                   10.9073(7)
_cell_length_c                   11.3585(8)
_cell_measurement_reflns_used    7874
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.211
_cell_measurement_theta_min      2.3715
_cell_volume                     1053.97(12)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15679
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.434
_exptl_absorpt_coefficient_mu    1.796
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_description       block
_exptl_crystal_F_000             444
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.247
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3675
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0359
_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)+(0.0477P)²+0.1799P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0930
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2984
_reflns_number_total             3675
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc01525a2.cif
_cod_data_source_block           KB1656_0m
_cod_depositor_comments          'Adding full bibliography for 7134638.cif.'
_cod_database_code               7134638
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_min   0.693
_shelx_estimated_absorpt_t_max   0.774
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
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'
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_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_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) . . . . ?
