#------------------------------------------------------------------------------
#$Date: 2021-09-08 01:56:17 +0300 (Wed, 08 Sep 2021) $
#$Revision: 269037 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/82/7708227.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_7708227
loop_
_publ_author_name
'Upadhyay, Aditya'
'Jha, Raushan Kumar'
'BATABYAL, MONOJIT'
'Dutta, Tanoy'
'Koner, Apurba Lal'
'Kumar, Sangit'
_publ_section_title
;
 Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT01565F
_journal_year                    2021
_chemical_formula_sum            'C28 H24 N2 O2 Se2'
_chemical_formula_weight         578.41
_space_group_crystal_system      trigonal
_space_group_IT_number           145
_space_group_name_Hall           'P 32'
_space_group_name_H-M_alt        'P 32'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-08-20 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.0735(2)
_cell_length_b                   8.0735(2)
_cell_length_c                   31.3692(10)
_cell_measurement_reflns_used    5322
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.79
_cell_measurement_theta_min      2.91
_cell_volume                     1770.75(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_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_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_unetI/netI     0.0652
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            29529
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.944
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.250
_diffrn_reflns_theta_min         2.913
_exptl_absorpt_coefficient_mu    3.162
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6303
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             870
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details
;
 Flack x determined using 2147 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         6671
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0208P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0646
_reflns_Friedel_coverage         0.896
_reflns_Friedel_fraction_full    0.946
_reflns_Friedel_fraction_max     0.892
_reflns_number_gt                5531
_reflns_number_total             6671
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01565f3.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1770.75(10)
_cod_database_code               7708227
_shelx_shelxl_version_number     2016/6
_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'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
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
Se1 Se 0.81240(6) 0.69359(6) 0.20807(2) 0.02562(11) Uani 1 1 d . . . . .
Se2 Se 0.95016(6) 0.97174(6) 0.16680(2) 0.02522(11) Uani 1 1 d . . . . .
O1 O 0.9119(4) 1.2985(5) 0.24316(12) 0.0336(8) Uani 1 1 d . . . . .
O2 O 0.4229(5) 0.3675(5) 0.13362(11) 0.0317(8) Uani 1 1 d . . . . .
N1 N 0.6722(5) 1.1144(5) 0.18210(12) 0.0227(8) Uani 1 1 d . . . . .
N2 N 0.3914(5) 0.5603(5) 0.19645(11) 0.0228(8) Uani 1 1 d . . . . .
C014 C 0.1838(6) 0.4618(6) 0.13608(14) 0.0213(9) Uani 1 1 d . . . . .
C1 C 0.7382(6) 0.9311(6) 0.13097(14) 0.0233(9) Uani 1 1 d . . . . .
C2 C 0.6990(7) 0.8272(6) 0.09280(15) 0.0251(10) Uani 1 1 d . . . . .
C3 C 0.8067(7) 0.7295(7) 0.07933(17) 0.0345(12) Uani 1 1 d . . . . .
H3 H 0.776125 0.624172 0.098124 0.052 Uiso 1 1 calc R U . . .
H1 H 0.941589 0.818715 0.080538 0.052 Uiso 1 1 calc R U . . .
H2 H 0.771493 0.683009 0.050703 0.052 Uiso 1 1 calc R U . . .
C4 C 0.5514(7) 0.8124(6) 0.06714(15) 0.0286(10) Uani 1 1 d . . . . .
H4 H 0.523621 0.744350 0.041714 0.034 Uiso 1 1 calc R U . . .
C5 C 0.4456(7) 0.8964(6) 0.07861(15) 0.0290(10) Uani 1 1 d . . . . .
H5 H 0.348576 0.885591 0.060797 0.035 Uiso 1 1 calc R U . . .
C6 C 0.4827(7) 0.9962(6) 0.11634(16) 0.0279(10) Uani 1 1 d . . . . .
H6 H 0.410724 1.052536 0.123928 0.033 Uiso 1 1 calc R U . . .
C7 C 0.6273(6) 1.0128(6) 0.14303(14) 0.0226(9) Uani 1 1 d . . . . .
C8 C 0.5412(6) 1.1219(6) 0.20371(15) 0.0267(10) Uani 1 1 d . . . . .
H12 H 0.416736 1.061214 0.193267 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5827(6) 1.2233(6) 0.24419(15) 0.0257(10) Uani 1 1 d . . . . .
C10 C 0.7656(7) 1.3038(6) 0.26266(15) 0.0285(10) Uani 1 1 d . . . . .
C11 C 0.7975(8) 1.3915(7) 0.30253(16) 0.0367(12) Uani 1 1 d . . . . .
H11 H 0.917679 1.445148 0.315144 0.044 Uiso 1 1 calc R U . . .
C12 C 0.6509(9) 1.3982(7) 0.32301(16) 0.0424(14) Uani 1 1 d . . . . .
H10 H 0.673798 1.457371 0.349501 0.051 Uiso 1 1 calc R U . . .
C13 C 0.4715(8) 1.3201(7) 0.30558(17) 0.0410(13) Uani 1 1 d . . . . .
H8 H 0.374028 1.325716 0.320125 0.049 Uiso 1 1 calc R U . . .
C14 C 0.4375(7) 1.2330(7) 0.26614(16) 0.0325(11) Uani 1 1 d . . . . .
H9 H 0.316377 1.180266 0.254061 0.039 Uiso 1 1 calc R U . . .
C15 C 0.6504(6) 0.7386(6) 0.24614(14) 0.0223(9) Uani 1 1 d . . . . .
C16 C 0.7225(6) 0.8415(6) 0.28407(15) 0.0259(10) Uani 1 1 d . . . . .
C17 C 0.5959(7) 0.8604(6) 0.31114(15) 0.0281(10) Uani 1 1 d . . . . .
H21 H 0.641409 0.930354 0.336202 0.034 Uiso 1 1 calc R U . . .
C18 C 0.4046(7) 0.7770(6) 0.30130(14) 0.0296(10) Uani 1 1 d . . . . .
H20 H 0.322033 0.787727 0.320293 0.036 Uiso 1 1 calc R U . . .
C19 C 0.3335(6) 0.6776(7) 0.26362(16) 0.0253(10) Uani 1 1 d . . . . .
H19 H 0.203934 0.622397 0.257340 0.030 Uiso 1 1 calc R U . . .
C20 C 0.4568(6) 0.6600(6) 0.23489(14) 0.0218(9) Uani 1 1 d . . . . .
C21 C 0.2542(6) 0.5613(6) 0.17611(15) 0.0233(9) Uani 1 1 d . . . . .
H18 H 0.198194 0.628001 0.187462 0.028 Uiso 1 1 calc R U . . .
C22 C 0.0311(7) 0.4629(7) 0.11562(15) 0.0268(10) Uani 1 1 d . . . . .
H17 H -0.026734 0.524841 0.128483 0.032 Uiso 1 1 calc R U . . .
C23 C -0.0361(7) 0.3749(7) 0.07701(15) 0.0305(11) Uani 1 1 d . . . . .
H16 H -0.139409 0.375668 0.064102 0.037 Uiso 1 1 calc R U . . .
C24 C 0.0510(7) 0.2851(6) 0.05751(15) 0.0305(11) Uani 1 1 d . . . . .
H15 H 0.007327 0.226637 0.031146 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2032(7) 0.2818(6) 0.07698(16) 0.0295(10) Uani 1 1 d . . . . .
H14 H 0.260453 0.219972 0.063781 0.035 Uiso 1 1 calc R U . . .
C26 C 0.2703(6) 0.3700(6) 0.11600(14) 0.0236(9) Uani 1 1 d . . . . .
C27 C 0.9300(7) 0.9374(8) 0.29589(19) 0.0380(13) Uani 1 1 d . . . . .
H23 H 1.003435 1.037916 0.275911 0.057 Uiso 1 1 calc R U . . .
H24 H 0.972279 0.845443 0.295315 0.057 Uiso 1 1 calc R U . . .
H22 H 0.947259 0.990364 0.324032 0.057 Uiso 1 1 calc R U . . .
H7 H 0.870(8) 1.223(8) 0.218(2) 0.057 Uiso 1 1 d . U . . .
H13 H 0.445(9) 0.418(9) 0.1578(19) 0.057 Uiso 1 1 d . U . . .
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
C15 Se1 Se2 101.71(12) . . ?
C1 Se2 Se1 101.74(12) . . ?
C10 O1 H7 111(4) . . ?
C26 O2 H13 110(4) . . ?
C8 N1 C7 120.4(4) . . ?
C21 N2 C20 120.2(4) . . ?
C22 C014 C26 118.3(4) . . ?
C22 C014 C21 120.0(4) . . ?
C26 C014 C21 121.6(4) . . ?
C7 C1 C2 120.3(4) . . ?
C7 C1 Se2 118.8(3) . . ?
C2 C1 Se2 120.9(3) . . ?
C4 C2 C1 118.1(4) . . ?
C4 C2 C3 119.3(4) . . ?
C1 C2 C3 122.6(4) . . ?
C2 C3 H3 109.5 . . ?
C2 C3 H1 109.5 . . ?
H3 C3 H1 109.5 . . ?
C2 C3 H2 109.5 . . ?
H3 C3 H2 109.5 . . ?
H1 C3 H2 109.5 . . ?
C5 C4 C2 121.4(4) . . ?
C5 C4 H4 119.3 . . ?
C2 C4 H4 119.3 . . ?
C4 C5 C6 120.4(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C7 120.0(4) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C1 119.7(4) . . ?
C6 C7 N1 122.4(4) . . ?
C1 C7 N1 117.8(4) . . ?
N1 C8 C9 121.6(4) . . ?
N1 C8 H12 119.2 . . ?
C9 C8 H12 119.2 . . ?
C14 C9 C10 119.2(4) . . ?
C14 C9 C8 119.9(4) . . ?
C10 C9 C8 120.8(4) . . ?
O1 C10 C11 118.6(5) . . ?
O1 C10 C9 122.1(4) . . ?
C11 C10 C9 119.2(5) . . ?
C12 C11 C10 119.7(5) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 122.0(5) . . ?
C11 C12 H10 119.0 . . ?
C13 C12 H10 119.0 . . ?
C12 C13 C14 119.1(5) . . ?
C12 C13 H8 120.5 . . ?
C14 C13 H8 120.5 . . ?
C13 C14 C9 120.8(5) . . ?
C13 C14 H9 119.6 . . ?
C9 C14 H9 119.6 . . ?
C16 C15 C20 121.3(4) . . ?
C16 C15 Se1 121.1(3) . . ?
C20 C15 Se1 117.6(3) . . ?
C17 C16 C15 118.2(4) . . ?
C17 C16 C27 118.9(4) . . ?
C15 C16 C27 122.8(4) . . ?
C18 C17 C16 121.0(4) . . ?
C18 C17 H21 119.5 . . ?
C16 C17 H21 119.5 . . ?
C17 C18 C19 121.0(4) . . ?
C17 C18 H20 119.5 . . ?
C19 C18 H20 119.5 . . ?
C18 C19 C20 119.9(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
N2 C20 C19 122.0(4) . . ?
N2 C20 C15 119.4(4) . . ?
C19 C20 C15 118.6(4) . . ?
N2 C21 C014 122.0(4) . . ?
N2 C21 H18 119.0 . . ?
C014 C21 H18 119.0 . . ?
C23 C22 C014 121.7(4) . . ?
C23 C22 H17 119.1 . . ?
C014 C22 H17 119.1 . . ?
C22 C23 C24 119.3(4) . . ?
C22 C23 H16 120.3 . . ?
C24 C23 H16 120.3 . . ?
C23 C24 C25 120.3(4) . . ?
C23 C24 H15 119.8 . . ?
C25 C24 H15 119.8 . . ?
C26 C25 C24 120.2(4) . . ?
C26 C25 H14 119.9 . . ?
C24 C25 H14 119.9 . . ?
O2 C26 C25 118.5(4) . . ?
O2 C26 C014 121.5(4) . . ?
C25 C26 C014 120.1(4) . . ?
C16 C27 H23 109.5 . . ?
C16 C27 H24 109.5 . . ?
H23 C27 H24 109.5 . . ?
C16 C27 H22 109.5 . . ?
H23 C27 H22 109.5 . . ?
H24 C27 H22 109.5 . . ?
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
Se1 C15 1.935(4) . ?
Se1 Se2 2.3364(6) . ?
Se2 C1 1.933(4) . ?
O1 C10 1.350(6) . ?
O1 H7 0.96(6) . ?
O2 C26 1.359(5) . ?
O2 H13 0.84(6) . ?
N1 C8 1.283(6) . ?
N1 C7 1.417(6) . ?
N2 C21 1.282(5) . ?
N2 C20 1.399(5) . ?
C014 C22 1.394(6) . ?
C014 C26 1.397(6) . ?
C014 C21 1.445(6) . ?
C1 C7 1.404(6) . ?
C1 C2 1.404(6) . ?
C2 C4 1.393(6) . ?
C2 C3 1.497(6) . ?
C3 H3 0.9600 . ?
C3 H1 0.9600 . ?
C3 H2 0.9600 . ?
C4 C5 1.378(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.388(6) . ?
C6 H6 0.9300 . ?
C8 C9 1.456(7) . ?
C8 H12 0.9300 . ?
C9 C14 1.395(6) . ?
C9 C10 1.407(6) . ?
C10 C11 1.396(7) . ?
C11 C12 1.371(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.372(8) . ?
C12 H10 0.9300 . ?
C13 C14 1.381(7) . ?
C13 H8 0.9300 . ?
C14 H9 0.9300 . ?
C15 C16 1.400(6) . ?
C15 C20 1.407(6) . ?
C16 C17 1.394(7) . ?
C16 C27 1.499(6) . ?
C17 C18 1.376(6) . ?
C17 H21 0.9300 . ?
C18 C19 1.382(7) . ?
C18 H20 0.9300 . ?
C19 C20 1.402(6) . ?
C19 H19 0.9300 . ?
C21 H18 0.9300 . ?
C22 C23 1.371(7) . ?
C22 H17 0.9300 . ?
C23 C24 1.380(7) . ?
C23 H16 0.9300 . ?
C24 C25 1.384(7) . ?
C24 H15 0.9300 . ?
C25 C26 1.383(6) . ?
C25 H14 0.9300 . ?
C27 H23 0.9600 . ?
C27 H24 0.9600 . ?
C27 H22 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C19 H19 O1 0.93 2.54 3.308(6) 140.7 1_445
C6 H6 O2 0.93 2.51 3.310(6) 143.9 1_565
O2 H13 N2 0.84(6) 1.87(6) 2.601(5) 146(6) .
O2 H13 Se1 0.84(6) 3.10(6) 3.741(3) 135(5) .
O1 H7 N1 0.96(6) 1.78(6) 2.598(5) 142(5) .
O1 H7 Se2 0.96(6) 2.90(6) 3.689(4) 140(4) .
C19 H19 O1 0.93 2.54 3.308(6) 140.7 1_445
C6 H6 O2 0.93 2.51 3.310(6) 143.9 1_565
O2 H13 N2 0.84(6) 1.87(6) 2.601(5) 146(6) .
O2 H13 Se1 0.84(6) 3.10(6) 3.741(3) 135(5) .
O1 H7 N1 0.96(6) 1.78(6) 2.598(5) 142(5) .
O1 H7 Se2 0.96(6) 2.90(6) 3.689(4) 140(4) .
O1 H7 Se2 0.96(6) 2.90(6) 3.689(4) 140(4) .
O1 H7 N1 0.96(6) 1.78(6) 2.598(5) 142(5) .
O2 H13 Se1 0.84(6) 3.10(6) 3.741(3) 135(5) .
O2 H13 N2 0.84(6) 1.87(6) 2.601(5) 146(6) .
C6 H6 O2 0.93 2.51 3.310(6) 143.9 1_565
C19 H19 O1 0.93 2.54 3.308(6) 140.7 1_445
C6 H6 O2 0.93 2.51 3.310(6) 143.9 1_565
C19 H19 O1 0.93 2.54 3.308(6) 140.7 1_445
O1 H7 Se2 0.96(6) 2.90(6) 3.689(4) 140(4) .
O1 H7 N1 0.96(6) 1.78(6) 2.598(5) 142(5) .
O2 H13 Se1 0.84(6) 3.10(6) 3.741(3) 135(5) .
O2 H13 N2 0.84(6) 1.87(6) 2.601(5) 146(6) .
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
C7 C1 C2 C4 1.6(6) . . . . ?
Se2 C1 C2 C4 -176.3(3) . . . . ?
C7 C1 C2 C3 -177.1(4) . . . . ?
Se2 C1 C2 C3 5.0(6) . . . . ?
C1 C2 C4 C5 -0.1(7) . . . . ?
C3 C2 C4 C5 178.6(4) . . . . ?
C2 C4 C5 C6 -0.7(7) . . . . ?
C4 C5 C6 C7 0.0(7) . . . . ?
C5 C6 C7 C1 1.4(7) . . . . ?
C5 C6 C7 N1 179.7(4) . . . . ?
C2 C1 C7 C6 -2.2(6) . . . . ?
Se2 C1 C7 C6 175.7(3) . . . . ?
C2 C1 C7 N1 179.4(4) . . . . ?
Se2 C1 C7 N1 -2.7(5) . . . . ?
C8 N1 C7 C6 31.2(6) . . . . ?
C8 N1 C7 C1 -150.4(4) . . . . ?
C7 N1 C8 C9 179.3(4) . . . . ?
N1 C8 C9 C14 178.1(4) . . . . ?
N1 C8 C9 C10 -5.1(7) . . . . ?
C14 C9 C10 O1 179.7(4) . . . . ?
C8 C9 C10 O1 2.9(7) . . . . ?
C14 C9 C10 C11 0.0(7) . . . . ?
C8 C9 C10 C11 -176.8(4) . . . . ?
O1 C10 C11 C12 -179.8(4) . . . . ?
C9 C10 C11 C12 -0.1(7) . . . . ?
C10 C11 C12 C13 0.3(8) . . . . ?
C11 C12 C13 C14 -0.3(8) . . . . ?
C12 C13 C14 C9 0.3(7) . . . . ?
C10 C9 C14 C13 -0.1(7) . . . . ?
C8 C9 C14 C13 176.7(4) . . . . ?
C20 C15 C16 C17 1.5(6) . . . . ?
Se1 C15 C16 C17 -176.7(3) . . . . ?
C20 C15 C16 C27 -176.2(4) . . . . ?
Se1 C15 C16 C27 5.5(6) . . . . ?
C15 C16 C17 C18 1.3(7) . . . . ?
C27 C16 C17 C18 179.1(4) . . . . ?
C16 C17 C18 C19 -2.2(7) . . . . ?
C17 C18 C19 C20 0.3(7) . . . . ?
C21 N2 C20 C19 34.0(6) . . . . ?
C21 N2 C20 C15 -148.8(4) . . . . ?
C18 C19 C20 N2 179.8(4) . . . . ?
C18 C19 C20 C15 2.5(7) . . . . ?
C16 C15 C20 N2 179.2(4) . . . . ?
Se1 C15 C20 N2 -2.4(5) . . . . ?
C16 C15 C20 C19 -3.4(6) . . . . ?
Se1 C15 C20 C19 174.9(3) . . . . ?
C20 N2 C21 C014 179.3(4) . . . . ?
C22 C014 C21 N2 178.4(4) . . . . ?
C26 C014 C21 N2 -4.4(6) . . . . ?
C26 C014 C22 C23 0.8(7) . . . . ?
C21 C014 C22 C23 178.1(4) . . . . ?
C014 C22 C23 C24 -0.9(7) . . . . ?
C22 C23 C24 C25 0.9(7) . . . . ?
C23 C24 C25 C26 -0.6(7) . . . . ?
C24 C25 C26 O2 -178.5(4) . . . . ?
C24 C25 C26 C014 0.4(7) . . . . ?
C22 C014 C26 O2 178.4(4) . . . . ?
C21 C014 C26 O2 1.1(6) . . . . ?
C22 C014 C26 C25 -0.5(6) . . . . ?
C21 C014 C26 C25 -177.8(4) . . . . ?
