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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2390754'
loop_
_audit_author_name
_audit_author_address
shishi
;Yantai University
China
;
_audit_update_record             
;
2024-10-14 deposited with the CCDC.	2025-02-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H24 N2 O3 S2 Se'
_chemical_formula_weight         591.58

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'
S S 0.1246 0.1234 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   8.5751(4)
_cell_length_b                   15.3208(7)
_cell_length_c                   20.3759(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2676.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9946
_cell_measurement_theta_min      2.84
_cell_measurement_theta_max      27.44

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1208
_exptl_absorpt_coefficient_mu    1.593
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6841
_exptl_absorpt_correction_T_max  0.8405
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54486
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.72
_diffrn_reflns_theta_max         27.59
_reflns_number_total             6132
_reflns_number_gt                4892
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1418P)²+7.8303P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6132
_refine_ls_number_parameters     330
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0757
_refine_ls_wR_factor_ref         0.2428
_refine_ls_wR_factor_gt          0.2245
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.110
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.70078(7) 0.44223(3) 0.41844(3) 0.0470(2) Uani 1 1 d . . .
C1 C 0.5642(6) 0.5390(3) 0.4080(2) 0.0318(9) Uani 1 1 d . . .
N1 N 0.4309(4) 0.6645(2) 0.41887(18) 0.0296(8) Uani 1 1 d . . .
O1 O 0.8712(5) 0.7512(3) 0.3904(2) 0.0592(12) Uani 1 1 d . . .
S1 S 0.75547(15) 0.79138(8) 0.57142(6) 0.0381(3) Uani 1 1 d . . .
S2 S 0.4747(3) 0.8685(2) 0.63728(11) 0.0904(7) Uani 1 1 d U . .
C2 C 0.5727(5) 0.6228(3) 0.4321(2) 0.0284(8) Uani 1 1 d . . .
N2 N 0.6323(5) 0.8093(3) 0.39697(19) 0.0350(8) Uani 1 1 d . . .
O2 O 0.9018(5) 0.7577(3) 0.5938(2) 0.0614(12) Uani 1 1 d . . .
O3 O 0.7555(6) 0.8664(3) 0.5295(2) 0.0543(10) Uani 1 1 d . . .
C3 C 0.4144(6) 0.5291(3) 0.3773(2) 0.0328(9) Uani 1 1 d . . .
C4 C 0.3453(7) 0.4611(3) 0.3414(3) 0.0410(11) Uani 1 1 d . . .
H4 H 0.3981 0.4089 0.3346 0.049 Uiso 1 1 calc R . .
C5 C 0.1985(7) 0.4733(4) 0.3167(3) 0.0521(14) Uani 1 1 d . . .
H5 H 0.1508 0.4284 0.2934 0.063 Uiso 1 1 calc R . .
C6 C 0.1190(7) 0.5520(4) 0.3259(3) 0.0496(14) Uani 1 1 d . . .
H6 H 0.0192 0.5582 0.3087 0.060 Uiso 1 1 calc R . .
C7 C 0.3340(5) 0.6075(3) 0.3854(2) 0.0319(9) Uani 1 1 d . . .
C8 C 0.3857(5) 0.7498(3) 0.4384(2) 0.0302(9) Uani 1 1 d . . .
C9 C 0.2426(6) 0.7620(3) 0.4695(3) 0.0390(10) Uani 1 1 d . . .
H9 H 0.1798 0.7140 0.4786 0.047 Uiso 1 1 calc R . .
C10 C 0.1932(6) 0.8443(4) 0.4869(3) 0.0467(12) Uani 1 1 d . . .
H10 H 0.0967 0.8522 0.5068 0.056 Uiso 1 1 calc R . .
C11 C 0.2885(7) 0.9152(4) 0.4743(3) 0.0497(13) Uani 1 1 d . . .
H11 H 0.2547 0.9712 0.4848 0.060 Uiso 1 1 calc R . .
C12 C 0.4333(6) 0.9033(3) 0.4463(3) 0.0412(11) Uani 1 1 d . . .
H12 H 0.4982 0.9512 0.4400 0.049 Uiso 1 1 calc R . .
C14 C 0.7424(6) 0.7501(3) 0.4150(2) 0.0368(10) Uani 1 1 d . . .
C13 C 0.4841(5) 0.8206(3) 0.4274(2) 0.0329(9) Uani 1 1 d . . .
C15 C 0.7010(5) 0.6759(3) 0.4645(2) 0.0304(9) Uani 1 1 d . . .
C16 C 0.8480(6) 0.6220(4) 0.4759(3) 0.0432(12) Uani 1 1 d . . .
H16A H 0.8832 0.5982 0.4349 0.065 Uiso 1 1 calc R . .
H16B H 0.8254 0.5753 0.5058 0.065 Uiso 1 1 calc R . .
H16C H 0.9279 0.6586 0.4941 0.065 Uiso 1 1 calc R . .
C17 C 0.6425(5) 0.7077(3) 0.5331(2) 0.0310(9) Uani 1 1 d . . .
H17A H 0.6392 0.6578 0.5624 0.037 Uiso 1 1 calc R . .
H17B H 0.5366 0.7289 0.5282 0.037 Uiso 1 1 calc R . .
C20 C 0.7520(6) 0.4159(3) 0.3291(3) 0.0398(11) Uani 1 1 d . . .
C19 C 0.1843(6) 0.6204(4) 0.3595(3) 0.0405(11) Uani 1 1 d . . .
H19 H 0.1317 0.6730 0.3648 0.049 Uiso 1 1 calc R . .
C18 C 0.6854(8) 0.8795(4) 0.3526(3) 0.0567(15) Uani 1 1 d . . .
H18A H 0.7646 0.8573 0.3238 0.085 Uiso 1 1 calc R . .
H18B H 0.7274 0.9267 0.3781 0.085 Uiso 1 1 calc R . .
H18C H 0.5989 0.9003 0.3272 0.085 Uiso 1 1 calc R . .
C21 C 0.7285(7) 0.4733(4) 0.2778(3) 0.0513(13) Uani 1 1 d . . .
H21 H 0.6820 0.5272 0.2854 0.062 Uiso 1 1 calc R . .
C22 C 0.7752(9) 0.4498(5) 0.2143(4) 0.0659(18) Uani 1 1 d . . .
H22 H 0.7574 0.4877 0.1795 0.079 Uiso 1 1 calc R . .
C23 C 0.8472(9) 0.3709(6) 0.2031(4) 0.074(2) Uani 1 1 d . . .
H23 H 0.8790 0.3558 0.1610 0.089 Uiso 1 1 calc R . .
C24 C 0.8720(9) 0.3141(5) 0.2552(5) 0.075(2) Uani 1 1 d . . .
H24 H 0.9215 0.2610 0.2478 0.090 Uiso 1 1 calc R . .
C25 C 0.8244(8) 0.3354(4) 0.3174(4) 0.0590(16) Uani 1 1 d . . .
H25 H 0.8402 0.2965 0.3518 0.071 Uiso 1 1 calc R . .
C26 C 0.6450(8) 0.8113(4) 0.6434(3) 0.0505(11) Uani 1 1 d DU . .
C27 C 0.6828(8) 0.7803(4) 0.7096(2) 0.0561(10) Uani 1 1 d D . .
H27A H 0.7699 0.7491 0.7233 0.067 Uiso 1 1 calc R . .
C28 C 0.5547(8) 0.8095(4) 0.7476(3) 0.0561(10) Uani 1 1 d DU . .
H28 H 0.5488 0.7984 0.7924 0.067 Uiso 1 1 calc R . .
C29 C 0.4403(11) 0.8547(6) 0.7155(4) 0.0760(17) Uani 1 1 d U . .
H29 H 0.3511 0.8756 0.7362 0.091 Uiso 1 1 calc R . .


_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
Se1 C1 1.902(5) . ?
Se1 C20 1.915(6) . ?
C1 C2 1.376(6) . ?
C1 C3 1.437(7) . ?
N1 C7 1.385(6) . ?
N1 C2 1.400(6) . ?
N1 C8 1.420(6) . ?
O1 C14 1.213(6) . ?
S1 O2 1.431(5) . ?
S1 O3 1.433(4) . ?
S1 C26 1.773(6) . ?
S1 C17 1.786(5) . ?
S2 C29 1.634(9) . ?
S2 C26 1.708(7) . ?
C2 C15 1.519(6) . ?
N2 C14 1.360(7) . ?
N2 C13 1.425(6) . ?
N2 C18 1.477(6) . ?
C3 C7 1.395(7) . ?
C3 C4 1.404(7) . ?
C4 C5 1.369(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.398(9) . ?
C5 H5 0.9300 . ?
C6 C19 1.372(8) . ?
C6 H6 0.9300 . ?
C7 C19 1.402(7) . ?
C8 C13 1.392(6) . ?
C8 C9 1.394(6) . ?
C9 C10 1.376(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.394(7) . ?
C12 H12 0.9300 . ?
C14 C15 1.561(6) . ?
C15 C16 1.524(7) . ?
C15 C17 1.563(6) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C20 C21 1.381(8) . ?
C20 C25 1.401(8) . ?
C19 H19 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C21 C22 1.403(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.376(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(13) . ?
C23 H23 0.9300 . ?
C24 C25 1.370(11) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.465(7) . ?
C27 C28 1.416(7) . ?
C27 H27A 0.9300 . ?
C28 C29 1.368(11) . ?
C28 H28 0.9300 . ?
C29 H29 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
C1 Se1 C20 101.5(2) . . ?
C2 C1 C3 107.5(4) . . ?
C2 C1 Se1 130.9(4) . . ?
C3 C1 Se1 121.1(3) . . ?
C7 N1 C2 109.2(4) . . ?
C7 N1 C8 123.6(4) . . ?
C2 N1 C8 127.1(4) . . ?
O2 S1 O3 118.6(3) . . ?
O2 S1 C26 105.5(3) . . ?
O3 S1 C26 110.9(3) . . ?
O2 S1 C17 110.8(3) . . ?
O3 S1 C17 108.4(2) . . ?
C26 S1 C17 101.3(2) . . ?
C29 S2 C26 90.9(4) . . ?
C1 C2 N1 108.1(4) . . ?
C1 C2 C15 133.9(4) . . ?
N1 C2 C15 117.9(4) . . ?
C14 N2 C13 125.6(4) . . ?
C14 N2 C18 115.9(4) . . ?
C13 N2 C18 117.0(4) . . ?
C7 C3 C4 119.5(5) . . ?
C7 C3 C1 107.4(4) . . ?
C4 C3 C1 133.0(5) . . ?
C5 C4 C3 118.6(5) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C4 C5 C6 121.1(5) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C19 C6 C5 121.8(5) . . ?
C19 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
N1 C7 C3 107.7(4) . . ?
N1 C7 C19 130.3(5) . . ?
C3 C7 C19 121.9(4) . . ?
C13 C8 C9 120.1(4) . . ?
C13 C8 N1 120.4(4) . . ?
C9 C8 N1 119.4(4) . . ?
C10 C9 C8 120.7(5) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.3(5) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.3(5) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 121.1(5) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
O1 C14 N2 120.7(5) . . ?
O1 C14 C15 119.0(5) . . ?
N2 C14 C15 120.2(4) . . ?
C8 C13 C12 118.3(4) . . ?
C8 C13 N2 121.1(4) . . ?
C12 C13 N2 120.6(4) . . ?
C2 C15 C16 112.0(4) . . ?
C2 C15 C14 105.9(4) . . ?
C16 C15 C14 107.8(4) . . ?
C2 C15 C17 108.9(3) . . ?
C16 C15 C17 107.3(4) . . ?
C14 C15 C17 115.0(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 S1 116.2(3) . . ?
C15 C17 H17A 108.2 . . ?
S1 C17 H17A 108.2 . . ?
C15 C17 H17B 108.2 . . ?
S1 C17 H17B 108.2 . . ?
H17A C17 H17B 107.4 . . ?
C21 C20 C25 119.7(6) . . ?
C21 C20 Se1 123.5(4) . . ?
C25 C20 Se1 116.7(5) . . ?
C6 C19 C7 117.0(5) . . ?
C6 C19 H19 121.5 . . ?
C7 C19 H19 121.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C21 C22 119.5(6) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.5(7) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.5(7) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 120.8(6) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C20 120.0(7) . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
C27 C26 S2 115.0(4) . . ?
C27 C26 S1 126.0(5) . . ?
S2 C26 S1 118.9(3) . . ?
C28 C27 C26 103.3(6) . . ?
C28 C27 H27A 128.3 . . ?
C26 C27 H27A 128.3 . . ?
C29 C28 C27 117.0(6) . . ?
C29 C28 H28 121.5 . . ?
C27 C28 H28 121.5 . . ?
C28 C29 S2 113.8(6) . . ?
C28 C29 H29 123.1 . . ?
S2 C29 H29 123.1 . . ?

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
C20 Se1 C1 C2 -122.1(4) . . . . ?
C20 Se1 C1 C3 66.6(4) . . . . ?
C3 C1 C2 N1 1.5(5) . . . . ?
Se1 C1 C2 N1 -170.7(3) . . . . ?
C3 C1 C2 C15 -174.5(4) . . . . ?
Se1 C1 C2 C15 13.3(8) . . . . ?
C7 N1 C2 C1 -0.9(5) . . . . ?
C8 N1 C2 C1 176.2(4) . . . . ?
C7 N1 C2 C15 175.8(4) . . . . ?
C8 N1 C2 C15 -7.0(6) . . . . ?
C2 C1 C3 C7 -1.5(5) . . . . ?
Se1 C1 C3 C7 171.6(3) . . . . ?
C2 C1 C3 C4 175.4(5) . . . . ?
Se1 C1 C3 C4 -11.5(7) . . . . ?
C7 C3 C4 C5 -1.5(7) . . . . ?
C1 C3 C4 C5 -178.2(5) . . . . ?
C3 C4 C5 C6 0.9(8) . . . . ?
C4 C5 C6 C19 0.4(9) . . . . ?
C2 N1 C7 C3 0.0(5) . . . . ?
C8 N1 C7 C3 -177.3(4) . . . . ?
C2 N1 C7 C19 -177.1(5) . . . . ?
C8 N1 C7 C19 5.7(8) . . . . ?
C4 C3 C7 N1 -176.5(4) . . . . ?
C1 C3 C7 N1 1.0(5) . . . . ?
C4 C3 C7 C19 0.8(7) . . . . ?
C1 C3 C7 C19 178.3(4) . . . . ?
C7 N1 C8 C13 -133.7(5) . . . . ?
C2 N1 C8 C13 49.6(6) . . . . ?
C7 N1 C8 C9 47.3(6) . . . . ?
C2 N1 C8 C9 -129.5(5) . . . . ?
C13 C8 C9 C10 3.2(8) . . . . ?
N1 C8 C9 C10 -177.7(5) . . . . ?
C8 C9 C10 C11 -1.3(9) . . . . ?
C9 C10 C11 C12 -1.8(9) . . . . ?
C10 C11 C12 C13 2.9(9) . . . . ?
C13 N2 C14 O1 -172.7(5) . . . . ?
C18 N2 C14 O1 -7.1(8) . . . . ?
C13 N2 C14 C15 11.4(7) . . . . ?
C18 N2 C14 C15 177.0(5) . . . . ?
C9 C8 C13 C12 -2.1(7) . . . . ?
N1 C8 C13 C12 178.9(4) . . . . ?
C9 C8 C13 N2 178.6(4) . . . . ?
N1 C8 C13 N2 -0.5(7) . . . . ?
C11 C12 C13 C8 -1.0(8) . . . . ?
C11 C12 C13 N2 178.3(5) . . . . ?
C14 N2 C13 C8 -50.5(7) . . . . ?
C18 N2 C13 C8 144.1(5) . . . . ?
C14 N2 C13 C12 130.2(5) . . . . ?
C18 N2 C13 C12 -35.2(7) . . . . ?
C1 C2 C15 C16 -4.3(7) . . . . ?
N1 C2 C15 C16 180.0(4) . . . . ?
C1 C2 C15 C14 112.9(5) . . . . ?
N1 C2 C15 C14 -62.8(5) . . . . ?
C1 C2 C15 C17 -122.8(5) . . . . ?
N1 C2 C15 C17 61.4(5) . . . . ?
O1 C14 C15 C2 -114.8(5) . . . . ?
N2 C14 C15 C2 61.2(5) . . . . ?
O1 C14 C15 C16 5.2(7) . . . . ?
N2 C14 C15 C16 -178.8(4) . . . . ?
O1 C14 C15 C17 124.9(5) . . . . ?
N2 C14 C15 C17 -59.1(6) . . . . ?
C2 C15 C17 S1 -166.1(3) . . . . ?
C16 C15 C17 S1 72.5(4) . . . . ?
C14 C15 C17 S1 -47.4(5) . . . . ?
O2 S1 C17 C15 -71.5(4) . . . . ?
O3 S1 C17 C15 60.3(4) . . . . ?
C26 S1 C17 C15 177.0(4) . . . . ?
C1 Se1 C20 C21 17.1(5) . . . . ?
C1 Se1 C20 C25 -166.3(4) . . . . ?
C5 C6 C19 C7 -1.1(8) . . . . ?
N1 C7 C19 C6 177.1(5) . . . . ?
C3 C7 C19 C6 0.5(7) . . . . ?
C25 C20 C21 C22 1.1(9) . . . . ?
Se1 C20 C21 C22 177.5(5) . . . . ?
C20 C21 C22 C23 -1.5(11) . . . . ?
C21 C22 C23 C24 0.7(12) . . . . ?
C22 C23 C24 C25 0.6(12) . . . . ?
C23 C24 C25 C20 -1.0(11) . . . . ?
C21 C20 C25 C24 0.2(10) . . . . ?
Se1 C20 C25 C24 -176.5(5) . . . . ?
C29 S2 C26 C27 -1.4(5) . . . . ?
C29 S2 C26 S1 176.6(4) . . . . ?
O2 S1 C26 C27 -12.8(6) . . . . ?
O3 S1 C26 C27 -142.4(5) . . . . ?
C17 S1 C26 C27 102.7(5) . . . . ?
O2 S1 C26 S2 169.4(4) . . . . ?
O3 S1 C26 S2 39.8(4) . . . . ?
C17 S1 C26 S2 -75.0(4) . . . . ?
S2 C26 C27 C28 1.0(6) . . . . ?
S1 C26 C27 C28 -176.8(4) . . . . ?
C26 C27 C28 C29 0.0(8) . . . . ?
C27 C28 C29 S2 -1.0(9) . . . . ?
C26 S2 C29 C28 1.3(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.59
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         4.081
_refine_diff_density_min         -1.468
_refine_diff_density_rms         0.122
