# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1941658'
loop_
_audit_author_name
_audit_author_address
'E Tang'
;Yunnan University
China
;
_audit_update_record             
;
2019-07-19 deposited with the CCDC.	2020-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H25 F3 O4 Se'
_chemical_formula_weight         537.42

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'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.9173(8)
_cell_length_b                   13.9163(16)
_cell_length_c                   14.1631(16)
_cell_angle_alpha                114.9980(10)
_cell_angle_beta                 94.3680(10)
_cell_angle_gamma                94.2510(10)
_cell_volume                     1223.5(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2674
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      21.76

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             548
_exptl_absorpt_coefficient_mu    1.587
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6306
_exptl_absorpt_correction_T_max  0.7019
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9448
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         25.14
_reflns_number_total             4325
_reflns_number_gt                2960
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_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)+(0.1335P)²+7.5652P] 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         4325
_refine_ls_number_parameters     310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1107
_refine_ls_R_factor_gt           0.0814
_refine_ls_wR_factor_ref         0.2805
_refine_ls_wR_factor_gt          0.2602
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.001
_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
F1 F -0.3082(15) 0.9911(7) 0.3277(10) 0.151(4) Uani 1 1 d . . .
F2 F -0.5733(14) 0.8985(10) 0.3134(12) 0.184(6) Uani 1 1 d . . .
F3 F -0.407(2) 0.8561(11) 0.1950(9) 0.184(6) Uani 1 1 d . . .
O1 O 0.2671(7) 0.5369(4) 0.4573(4) 0.0437(12) Uani 1 1 d . . .
O2 O -0.2194(7) 0.7753(4) 0.6283(4) 0.0440(13) Uani 1 1 d . . .
O3 O -0.0649(8) 0.8955(5) 0.8377(4) 0.0540(15) Uani 1 1 d . . .
O4 O 0.3009(8) 0.8768(5) 0.9032(4) 0.0567(15) Uani 1 1 d . . .
Se1 Se 0.27964(14) 0.42927(8) 0.22495(7) 0.0647(4) Uani 1 1 d . . .
C1 C 0.250(2) 0.4290(13) 0.0234(10) 0.105(4) Uani 1 1 d . . .
H1 H 0.3632 0.4772 0.0493 0.126 Uiso 1 1 calc R . .
C2 C 0.164(4) 0.3955(18) -0.0773(13) 0.140(7) Uani 1 1 d . . .
H2 H 0.2235 0.4221 -0.1195 0.168 Uiso 1 1 calc R . .
C3 C 0.001(4) 0.3273(15) -0.1196(10) 0.139(8) Uani 1 1 d . . .
H3 H -0.0494 0.3049 -0.1892 0.167 Uiso 1 1 calc R . .
C4 C -0.081(3) 0.2946(13) -0.0583(13) 0.126(6) Uani 1 1 d . . .
H4 H -0.1989 0.2509 -0.0844 0.151 Uiso 1 1 calc R . .
C5 C -0.003(3) 0.3206(12) 0.0459(10) 0.114(5) Uani 1 1 d . . .
H5 H -0.0652 0.2921 0.0861 0.137 Uiso 1 1 calc R . .
C6 C 0.1624(15) 0.3880(7) 0.0851(7) 0.057(2) Uani 1 1 d . . .
C7 C 0.0647(12) 0.4960(7) 0.3022(6) 0.050(2) Uani 1 1 d . . .
H7A H -0.0140 0.5238 0.2619 0.060 Uiso 1 1 calc R . .
H7B H -0.0182 0.4435 0.3136 0.060 Uiso 1 1 calc R . .
C8 C 0.1503(10) 0.5856(6) 0.4062(6) 0.0388(16) Uani 1 1 d . . .
H8 H 0.2332 0.6386 0.3941 0.047 Uiso 1 1 calc R . .
C9 C -0.0101(10) 0.6404(6) 0.4740(5) 0.0388(16) Uani 1 1 d . . .
H9 H -0.1091 0.5848 0.4711 0.047 Uiso 1 1 calc R . .
C10 C 0.0799(10) 0.7045(6) 0.5882(5) 0.0364(16) Uani 1 1 d . . .
C11 C 0.2642(10) 0.6936(6) 0.6227(6) 0.0422(17) Uani 1 1 d . . .
C12 C 0.3860(11) 0.6176(7) 0.5470(6) 0.050(2) Uani 1 1 d . . .
H12A H 0.4771 0.6575 0.5242 0.061 Uiso 1 1 calc R . .
H12B H 0.4611 0.5840 0.5827 0.061 Uiso 1 1 calc R . .
C13 C -0.1054(10) 0.7065(6) 0.4267(5) 0.0365(16) Uani 1 1 d . . .
C14 C -0.0118(12) 0.8032(7) 0.4348(6) 0.0480(19) Uani 1 1 d . . .
H14 H 0.1141 0.8273 0.4695 0.058 Uiso 1 1 calc R . .
C15 C -0.1023(13) 0.8626(7) 0.3926(7) 0.055(2) Uani 1 1 d . . .
H15 H -0.0365 0.9263 0.3993 0.066 Uiso 1 1 calc R . .
C16 C -0.2871(13) 0.8305(7) 0.3407(7) 0.053(2) Uani 1 1 d . . .
C17 C -0.3821(12) 0.7322(7) 0.3279(6) 0.051(2) Uani 1 1 d . . .
H17 H -0.5067 0.7082 0.2914 0.061 Uiso 1 1 calc R . .
C18 C -0.2911(11) 0.6716(7) 0.3693(6) 0.0446(18) Uani 1 1 d . . .
H18 H -0.3544 0.6060 0.3589 0.054 Uiso 1 1 calc R . .
C19 C -0.393(2) 0.8953(12) 0.2981(12) 0.095(4) Uani 1 1 d . . .
C20 C -0.0291(10) 0.7745(6) 0.6621(6) 0.0375(16) Uani 1 1 d . . .
C21 C 0.0502(10) 0.8333(6) 0.7657(6) 0.0409(17) Uani 1 1 d . . .
C22 C 0.2376(11) 0.8194(6) 0.7988(6) 0.0436(18) Uani 1 1 d . . .
C23 C 0.3446(11) 0.7501(6) 0.7266(6) 0.0426(18) Uani 1 1 d . . .
H23 H 0.4702 0.7414 0.7476 0.051 Uiso 1 1 calc R . .
C24 C 0.4807(13) 0.8538(9) 0.9406(7) 0.071(3) Uani 1 1 d . . .
H24A H 0.4725 0.7791 0.9239 0.106 Uiso 1 1 calc R . .
H24B H 0.5059 0.8948 1.0153 0.106 Uiso 1 1 calc R . .
H24C H 0.5847 0.8722 0.9079 0.106 Uiso 1 1 calc R . .
C25 C -0.0078(15) 1.0092(8) 0.8796(8) 0.065(3) Uani 1 1 d . . .
H25A H 0.1229 1.0260 0.9147 0.097 Uiso 1 1 calc R . .
H25B H -0.0953 1.0465 0.9285 0.097 Uiso 1 1 calc R . .
H25C H -0.0132 1.0305 0.8233 0.097 Uiso 1 1 calc R . .
C26 C -0.2834(12) 0.8777(7) 0.6438(7) 0.056(2) Uani 1 1 d . . .
H26A H -0.3655 0.8998 0.6991 0.085 Uiso 1 1 calc R . .
H26B H -0.3553 0.8709 0.5801 0.085 Uiso 1 1 calc R . .
H26C H -0.1716 0.9301 0.6623 0.085 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
F1 C19 1.293(16) . ?
F2 C19 1.284(17) . ?
F3 C19 1.318(18) . ?
O1 C8 1.429(9) . ?
O1 C12 1.432(9) . ?
O2 C20 1.368(8) . ?
O2 C26 1.456(10) . ?
O3 C21 1.380(9) . ?
O3 C25 1.445(11) . ?
O4 C22 1.366(9) . ?
O4 C24 1.425(11) . ?
Se1 C6 1.907(9) . ?
Se1 C7 1.965(8) . ?
C1 C2 1.37(2) . ?
C1 C6 1.381(17) . ?
C1 H1 0.9300 . ?
C2 C3 1.34(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.29(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(19) . ?
C4 H4 0.9300 . ?
C5 C6 1.344(17) . ?
C5 H5 0.9300 . ?
C7 C8 1.510(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.551(10) . ?
C8 H8 0.9800 . ?
C9 C13 1.508(11) . ?
C9 C10 1.531(10) . ?
C9 H9 0.9800 . ?
C10 C11 1.372(10) . ?
C10 C20 1.407(10) . ?
C11 C23 1.387(10) . ?
C11 C12 1.513(10) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C18 1.401(10) . ?
C13 C14 1.404(11) . ?
C14 C15 1.367(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.405(13) . ?
C16 C19 1.484(14) . ?
C17 C18 1.376(12) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C20 C21 1.385(10) . ?
C21 C22 1.400(11) . ?
C22 C23 1.383(10) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C8 O1 C12 109.8(6) . . ?
C20 O2 C26 117.7(6) . . ?
C21 O3 C25 114.7(7) . . ?
C22 O4 C24 116.7(6) . . ?
C6 Se1 C7 99.5(4) . . ?
C2 C1 C6 117.1(16) . . ?
C2 C1 H1 121.4 . . ?
C6 C1 H1 121.4 . . ?
C3 C2 C1 124.9(17) . . ?
C3 C2 H2 117.6 . . ?
C1 C2 H2 117.6 . . ?
C4 C3 C2 116.1(14) . . ?
C4 C3 H3 121.9 . . ?
C2 C3 H3 121.9 . . ?
C3 C4 C5 124.4(17) . . ?
C3 C4 H4 117.8 . . ?
C5 C4 H4 117.8 . . ?
C6 C5 C4 117.6(15) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
C5 C6 C1 119.8(11) . . ?
C5 C6 Se1 121.4(9) . . ?
C1 C6 Se1 118.9(9) . . ?
C8 C7 Se1 108.6(5) . . ?
C8 C7 H7A 110.0 . . ?
Se1 C7 H7A 110.0 . . ?
C8 C7 H7B 110.0 . . ?
Se1 C7 H7B 110.0 . . ?
H7A C7 H7B 108.3 . . ?
O1 C8 C7 105.4(6) . . ?
O1 C8 C9 110.5(6) . . ?
C7 C8 C9 112.1(6) . . ?
O1 C8 H8 109.6 . . ?
C7 C8 H8 109.6 . . ?
C9 C8 H8 109.6 . . ?
C13 C9 C10 113.9(6) . . ?
C13 C9 C8 108.3(6) . . ?
C10 C9 C8 109.4(6) . . ?
C13 C9 H9 108.3 . . ?
C10 C9 H9 108.3 . . ?
C8 C9 H9 108.3 . . ?
C11 C10 C20 117.9(6) . . ?
C11 C10 C9 122.0(6) . . ?
C20 C10 C9 120.1(6) . . ?
C10 C11 C23 122.0(7) . . ?
C10 C11 C12 120.1(6) . . ?
C23 C11 C12 117.9(7) . . ?
O1 C12 C11 111.7(6) . . ?
O1 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
O1 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 107.9 . . ?
C18 C13 C14 116.9(7) . . ?
C18 C13 C9 120.8(7) . . ?
C14 C13 C9 122.3(6) . . ?
C15 C14 C13 121.2(7) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C14 121.6(8) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 118.6(8) . . ?
C15 C16 C19 122.9(10) . . ?
C17 C16 C19 118.4(10) . . ?
C18 C17 C16 120.1(8) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C13 121.5(8) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
F2 C19 F1 109.7(13) . . ?
F2 C19 F3 101.1(13) . . ?
F1 C19 F3 102.7(14) . . ?
F2 C19 C16 114.6(12) . . ?
F1 C19 C16 114.2(12) . . ?
F3 C19 C16 113.2(12) . . ?
O2 C20 C21 122.2(6) . . ?
O2 C20 C10 116.8(6) . . ?
C21 C20 C10 120.8(6) . . ?
O3 C21 C20 119.4(6) . . ?
O3 C21 C22 120.3(6) . . ?
C20 C21 C22 119.8(7) . . ?
O4 C22 C23 124.6(7) . . ?
O4 C22 C21 116.0(7) . . ?
C23 C22 C21 119.4(7) . . ?
C22 C23 C11 119.9(7) . . ?
C22 C23 H23 120.1 . . ?
C11 C23 H23 120.1 . . ?
O4 C24 H24A 109.5 . . ?
O4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O3 C25 H25A 109.5 . . ?
O3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O2 C26 H26A 109.5 . . ?
O2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
C6 C1 C2 C3 1(3) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C3 C4 C5 C6 3(3) . . . . ?
C4 C5 C6 C1 0(2) . . . . ?
C4 C5 C6 Se1 179.8(12) . . . . ?
C2 C1 C6 C5 -2(2) . . . . ?
C2 C1 C6 Se1 178.5(12) . . . . ?
C7 Se1 C6 C5 -60.0(11) . . . . ?
C7 Se1 C6 C1 119.8(10) . . . . ?
C6 Se1 C7 C8 -148.0(6) . . . . ?
C12 O1 C8 C7 168.4(6) . . . . ?
C12 O1 C8 C9 -70.3(7) . . . . ?
Se1 C7 C8 O1 -57.9(7) . . . . ?
Se1 C7 C8 C9 -178.1(5) . . . . ?
O1 C8 C9 C13 170.1(6) . . . . ?
C7 C8 C9 C13 -72.7(8) . . . . ?
O1 C8 C9 C10 45.4(8) . . . . ?
C7 C8 C9 C10 162.5(7) . . . . ?
C13 C9 C10 C11 -133.3(8) . . . . ?
C8 C9 C10 C11 -11.9(10) . . . . ?
C13 C9 C10 C20 48.9(9) . . . . ?
C8 C9 C10 C20 170.3(7) . . . . ?
C20 C10 C11 C23 -0.9(12) . . . . ?
C9 C10 C11 C23 -178.7(7) . . . . ?
C20 C10 C11 C12 178.7(7) . . . . ?
C9 C10 C11 C12 0.9(12) . . . . ?
C8 O1 C12 C11 56.8(9) . . . . ?
C10 C11 C12 O1 -22.2(11) . . . . ?
C23 C11 C12 O1 157.4(7) . . . . ?
C10 C9 C13 C18 -133.6(7) . . . . ?
C8 C9 C13 C18 104.4(8) . . . . ?
C10 C9 C13 C14 48.4(9) . . . . ?
C8 C9 C13 C14 -73.6(8) . . . . ?
C18 C13 C14 C15 2.9(12) . . . . ?
C9 C13 C14 C15 -179.0(8) . . . . ?
C13 C14 C15 C16 -0.1(14) . . . . ?
C14 C15 C16 C17 -2.2(14) . . . . ?
C14 C15 C16 C19 177.2(11) . . . . ?
C15 C16 C17 C18 1.5(13) . . . . ?
C19 C16 C17 C18 -177.9(10) . . . . ?
C16 C17 C18 C13 1.4(12) . . . . ?
C14 C13 C18 C17 -3.6(11) . . . . ?
C9 C13 C18 C17 178.3(7) . . . . ?
C15 C16 C19 F2 -137.6(14) . . . . ?
C17 C16 C19 F2 41.8(18) . . . . ?
C15 C16 C19 F1 -9.9(19) . . . . ?
C17 C16 C19 F1 169.5(12) . . . . ?
C15 C16 C19 F3 107.2(15) . . . . ?
C17 C16 C19 F3 -73.5(16) . . . . ?
C26 O2 C20 C21 58.3(10) . . . . ?
C26 O2 C20 C10 -126.4(8) . . . . ?
C11 C10 C20 O2 -173.1(7) . . . . ?
C9 C10 C20 O2 4.7(10) . . . . ?
C11 C10 C20 C21 2.3(11) . . . . ?
C9 C10 C20 C21 -179.8(7) . . . . ?
C25 O3 C21 C20 -113.3(9) . . . . ?
C25 O3 C21 C22 74.4(10) . . . . ?
O2 C20 C21 O3 -0.4(12) . . . . ?
C10 C20 C21 O3 -175.5(7) . . . . ?
O2 C20 C21 C22 172.0(7) . . . . ?
C10 C20 C21 C22 -3.2(12) . . . . ?
C24 O4 C22 C23 -7.1(13) . . . . ?
C24 O4 C22 C21 172.5(8) . . . . ?
O3 C21 C22 O4 -4.7(12) . . . . ?
C20 C21 C22 O4 -177.0(7) . . . . ?
O3 C21 C22 C23 174.9(7) . . . . ?
C20 C21 C22 C23 2.6(12) . . . . ?
O4 C22 C23 C11 178.3(8) . . . . ?
C21 C22 C23 C11 -1.2(12) . . . . ?
C10 C11 C23 C22 0.4(13) . . . . ?
C12 C11 C23 C22 -179.2(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.14
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.124
####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1941659'
loop_
_audit_author_name
_audit_author_address
'E Tang'
;Yunnan University
China
;
_audit_update_record             
;
2019-07-19 deposited with the CCDC.	2020-03-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H28 O5 Se'
_chemical_formula_weight         499.44

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'
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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'Pbca '

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

_cell_length_a                   9.3459(8)
_cell_length_b                   19.5855(17)
_cell_length_c                   25.163(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4605.8(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4523
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      22.69

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2064
_exptl_absorpt_coefficient_mu    1.666
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6178
_exptl_absorpt_correction_T_max  0.6527
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24675
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         25.15
_reflns_number_total             4114
_reflns_number_gt                2890
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_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)+(0.0484P)²+1.0062P] 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         4114
_refine_ls_number_parameters     293
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0971
_refine_ls_wR_factor_gt          0.0857
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.006
_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
O1 O 0.4861(2) 0.19612(9) 0.47419(7) 0.0460(5) Uani 1 1 d . . .
O2 O 0.6519(2) 0.10626(11) 0.52853(7) 0.0523(5) Uani 1 1 d . . .
O3 O 0.7251(2) -0.01695(10) 0.48483(7) 0.0541(5) Uani 1 1 d . . .
O4 O 0.4851(2) 0.07621(10) 0.28030(7) 0.0505(5) Uani 1 1 d . . .
O5 O 0.1751(2) 0.27575(9) 0.35780(8) 0.0511(5) Uani 1 1 d . . .
Se1 Se 0.61451(3) 0.216636(16) 0.305397(14) 0.05769(14) Uani 1 1 d . . .
C1 C 0.4702(2) 0.12071(13) 0.39921(9) 0.0333(6) Uani 1 1 d . . .
C2 C 0.5252(3) 0.13561(12) 0.44971(10) 0.0350(6) Uani 1 1 d . . .
C3 C 0.6103(3) 0.08934(13) 0.47772(10) 0.0367(6) Uani 1 1 d . . .
C4 C 0.6435(3) 0.02636(13) 0.45500(10) 0.0395(6) Uani 1 1 d . . .
C5 C 0.5919(3) 0.01166(13) 0.40485(10) 0.0405(6) Uani 1 1 d . . .
H5 H 0.6156 -0.0298 0.3892 0.049 Uiso 1 1 calc R . .
C6 C 0.5054(3) 0.05732(13) 0.37706(10) 0.0373(6) Uani 1 1 d . . .
C7 C 0.4494(3) 0.03321(14) 0.32369(11) 0.0486(7) Uani 1 1 d . . .
H7A H 0.4869 -0.0121 0.3167 0.058 Uiso 1 1 calc R . .
H7B H 0.3460 0.0296 0.3257 0.058 Uiso 1 1 calc R . .
C8 C 0.3876(3) 0.13147(15) 0.27407(11) 0.0507(7) Uani 1 1 d . . .
H8A H 0.2907 0.1145 0.2783 0.061 Uiso 1 1 calc R . .
H8B H 0.3963 0.1495 0.2383 0.061 Uiso 1 1 calc R . .
C9 C 0.4128(3) 0.18854(15) 0.31353(10) 0.0407(6) Uani 1 1 d . . .
H9 H 0.3537 0.2272 0.3022 0.049 Uiso 1 1 calc R . .
C10 C 0.3761(2) 0.17442(13) 0.37260(10) 0.0345(6) Uani 1 1 d . . .
H10 H 0.3951 0.2172 0.3915 0.041 Uiso 1 1 calc R . .
C11 C 0.2155(3) 0.16044(13) 0.37968(9) 0.0357(6) Uani 1 1 d . . .
C12 C 0.1610(3) 0.09854(14) 0.39636(11) 0.0453(7) Uani 1 1 d . . .
H12 H 0.2242 0.0632 0.4041 0.054 Uiso 1 1 calc R . .
C13 C 0.0150(3) 0.08719(17) 0.40198(12) 0.0567(8) Uani 1 1 d . . .
H13 H -0.0185 0.0450 0.4135 0.068 Uiso 1 1 calc R . .
C14 C -0.0793(3) 0.13889(18) 0.39031(12) 0.0582(8) Uani 1 1 d . . .
H14 H -0.1773 0.1311 0.3924 0.070 Uiso 1 1 calc R . .
C15 C -0.0291(3) 0.20222(16) 0.37546(11) 0.0511(8) Uani 1 1 d . . .
H15 H -0.0931 0.2375 0.3687 0.061 Uiso 1 1 calc R . .
C16 C 0.1175(3) 0.21340(14) 0.37054(10) 0.0398(6) Uani 1 1 d . . .
C17 C 0.6022(3) 0.31413(16) 0.30628(10) 0.0439(7) Uani 1 1 d . . .
C18 C 0.4927(3) 0.35103(15) 0.32938(12) 0.0505(7) Uani 1 1 d . . .
H18 H 0.4171 0.3283 0.3456 0.061 Uiso 1 1 calc R . .
C19 C 0.4949(4) 0.42177(16) 0.32852(13) 0.0601(8) Uani 1 1 d . . .
H19 H 0.4196 0.4461 0.3435 0.072 Uiso 1 1 calc R . .
C20 C 0.6077(4) 0.45649(18) 0.30567(12) 0.0681(10) Uani 1 1 d . . .
H20 H 0.6096 0.5040 0.3056 0.082 Uiso 1 1 calc R . .
C21 C 0.7165(4) 0.4200(2) 0.28310(13) 0.0683(10) Uani 1 1 d . . .
H21 H 0.7929 0.4430 0.2676 0.082 Uiso 1 1 calc R . .
C22 C 0.7148(3) 0.34980(18) 0.28293(12) 0.0588(8) Uani 1 1 d . . .
H22 H 0.7895 0.3259 0.2671 0.071 Uiso 1 1 calc R . .
C23 C 0.5978(4) 0.24618(17) 0.47862(15) 0.0696(10) Uani 1 1 d . . .
H23A H 0.6805 0.2258 0.4947 0.104 Uiso 1 1 calc R . .
H23B H 0.5652 0.2835 0.5002 0.104 Uiso 1 1 calc R . .
H23C H 0.6223 0.2627 0.4439 0.104 Uiso 1 1 calc R . .
C24 C 0.8026(4) 0.1083(2) 0.53792(13) 0.0759(10) Uani 1 1 d . . .
H24A H 0.8383 0.0627 0.5419 0.114 Uiso 1 1 calc R . .
H24B H 0.8214 0.1338 0.5698 0.114 Uiso 1 1 calc R . .
H24C H 0.8493 0.1299 0.5084 0.114 Uiso 1 1 calc R . .
C25 C 0.7562(4) -0.08229(15) 0.46324(13) 0.0646(9) Uani 1 1 d . . .
H25A H 0.6686 -0.1066 0.4572 0.097 Uiso 1 1 calc R . .
H25B H 0.8149 -0.1074 0.4877 0.097 Uiso 1 1 calc R . .
H25C H 0.8063 -0.0770 0.4302 0.097 Uiso 1 1 calc R . .
C26 C 0.0813(3) 0.33189(16) 0.34996(14) 0.0638(9) Uani 1 1 d . . .
H26A H 0.0193 0.3226 0.3204 0.096 Uiso 1 1 calc R . .
H26B H 0.1363 0.3722 0.3428 0.096 Uiso 1 1 calc R . .
H26C H 0.0249 0.3388 0.3814 0.096 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
O1 C2 1.385(3) . ?
O1 C23 1.437(4) . ?
O2 C3 1.377(3) . ?
O2 C24 1.428(4) . ?
O3 C4 1.366(3) . ?
O3 C25 1.420(3) . ?
O4 C7 1.419(3) . ?
O4 C8 1.424(3) . ?
O5 C16 1.372(3) . ?
O5 C26 1.420(3) . ?
Se1 C17 1.913(3) . ?
Se1 C9 1.974(3) . ?
C1 C6 1.400(3) . ?
C1 C2 1.401(3) . ?
C1 C10 1.526(3) . ?
C2 C3 1.396(3) . ?
C3 C4 1.394(4) . ?
C4 C5 1.381(4) . ?
C5 C6 1.394(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.517(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.514(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.550(3) . ?
C9 H9 0.9800 . ?
C10 C11 1.537(3) . ?
C10 H10 0.9800 . ?
C11 C12 1.380(4) . ?
C11 C16 1.402(3) . ?
C12 C13 1.390(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.375(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.378(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.393(4) . ?
C15 H15 0.9300 . ?
C17 C18 1.381(4) . ?
C17 C22 1.393(4) . ?
C18 C19 1.386(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.380(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.366(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.376(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C2 O1 C23 115.2(2) . . ?
C3 O2 C24 116.1(2) . . ?
C4 O3 C25 117.6(2) . . ?
C7 O4 C8 112.7(2) . . ?
C16 O5 C26 118.7(2) . . ?
C17 Se1 C9 102.70(11) . . ?
C6 C1 C2 117.4(2) . . ?
C6 C1 C10 124.9(2) . . ?
C2 C1 C10 117.7(2) . . ?
O1 C2 C3 118.8(2) . . ?
O1 C2 C1 119.0(2) . . ?
C3 C2 C1 122.1(2) . . ?
O2 C3 C4 122.1(2) . . ?
O2 C3 C2 118.3(2) . . ?
C4 C3 C2 119.6(2) . . ?
O3 C4 C5 124.6(2) . . ?
O3 C4 C3 116.6(2) . . ?
C5 C4 C3 118.8(2) . . ?
C4 C5 C6 121.8(2) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 120.4(2) . . ?
C5 C6 C7 116.4(2) . . ?
C1 C6 C7 123.2(2) . . ?
O4 C7 C6 114.5(2) . . ?
O4 C7 H7A 108.6 . . ?
C6 C7 H7A 108.6 . . ?
O4 C7 H7B 108.6 . . ?
C6 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
O4 C8 C9 112.9(2) . . ?
O4 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
O4 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C8 C9 C10 117.6(2) . . ?
C8 C9 Se1 106.66(18) . . ?
C10 C9 Se1 111.12(17) . . ?
C8 C9 H9 107.0 . . ?
C10 C9 H9 107.0 . . ?
Se1 C9 H9 107.0 . . ?
C1 C10 C11 112.9(2) . . ?
C1 C10 C9 114.6(2) . . ?
C11 C10 C9 111.0(2) . . ?
C1 C10 H10 105.8 . . ?
C11 C10 H10 105.8 . . ?
C9 C10 H10 105.8 . . ?
C12 C11 C16 117.3(2) . . ?
C12 C11 C10 123.5(2) . . ?
C16 C11 C10 119.2(2) . . ?
C11 C12 C13 122.2(3) . . ?
C11 C12 H12 118.9 . . ?
C13 C12 H12 118.9 . . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C15 C16 120.1(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
O5 C16 C15 123.1(2) . . ?
O5 C16 C11 116.1(2) . . ?
C15 C16 C11 120.7(3) . . ?
C18 C17 C22 118.4(3) . . ?
C18 C17 Se1 124.9(2) . . ?
C22 C17 Se1 116.8(2) . . ?
C17 C18 C19 120.4(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.7(3) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 118.9(3) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C20 C21 C22 121.0(3) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C21 C22 C17 120.6(3) . . ?
C21 C22 H22 119.7 . . ?
C17 C22 H22 119.7 . . ?
O1 C23 H23A 109.5 . . ?
O1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O2 C24 H24A 109.5 . . ?
O2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O3 C25 H25A 109.5 . . ?
O3 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O3 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O5 C26 H26A 109.5 . . ?
O5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 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
C23 O1 C2 C3 74.3(3) . . . . ?
C23 O1 C2 C1 -110.1(3) . . . . ?
C6 C1 C2 O1 -176.3(2) . . . . ?
C10 C1 C2 O1 3.4(3) . . . . ?
C6 C1 C2 C3 -0.8(4) . . . . ?
C10 C1 C2 C3 178.8(2) . . . . ?
C24 O2 C3 C4 61.8(4) . . . . ?
C24 O2 C3 C2 -121.9(3) . . . . ?
O1 C2 C3 O2 -0.3(3) . . . . ?
C1 C2 C3 O2 -175.8(2) . . . . ?
O1 C2 C3 C4 176.1(2) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C25 O3 C4 C5 -1.6(4) . . . . ?
C25 O3 C4 C3 177.9(2) . . . . ?
O2 C3 C4 O3 -2.8(4) . . . . ?
C2 C3 C4 O3 -179.0(2) . . . . ?
O2 C3 C4 C5 176.8(2) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
O3 C4 C5 C6 178.0(2) . . . . ?
C3 C4 C5 C6 -1.5(4) . . . . ?
C4 C5 C6 C1 1.2(4) . . . . ?
C4 C5 C6 C7 -176.7(2) . . . . ?
C2 C1 C6 C5 -0.1(4) . . . . ?
C10 C1 C6 C5 -179.7(2) . . . . ?
C2 C1 C6 C7 177.7(2) . . . . ?
C10 C1 C6 C7 -1.9(4) . . . . ?
C8 O4 C7 C6 -84.7(3) . . . . ?
C5 C6 C7 O4 -123.1(3) . . . . ?
C1 C6 C7 O4 59.0(3) . . . . ?
C7 O4 C8 C9 77.8(3) . . . . ?
O4 C8 C9 C10 -70.0(3) . . . . ?
O4 C8 C9 Se1 55.5(3) . . . . ?
C17 Se1 C9 C8 136.00(18) . . . . ?
C17 Se1 C9 C10 -94.70(19) . . . . ?
C6 C1 C10 C11 82.0(3) . . . . ?
C2 C1 C10 C11 -97.7(3) . . . . ?
C6 C1 C10 C9 -46.5(3) . . . . ?
C2 C1 C10 C9 133.8(2) . . . . ?
C8 C9 C10 C1 66.3(3) . . . . ?
Se1 C9 C10 C1 -56.9(3) . . . . ?
C8 C9 C10 C11 -63.1(3) . . . . ?
Se1 C9 C10 C11 173.63(17) . . . . ?
C1 C10 C11 C12 -15.1(3) . . . . ?
C9 C10 C11 C12 115.2(3) . . . . ?
C1 C10 C11 C16 162.8(2) . . . . ?
C9 C10 C11 C16 -66.9(3) . . . . ?
C16 C11 C12 C13 2.7(4) . . . . ?
C10 C11 C12 C13 -179.4(3) . . . . ?
C11 C12 C13 C14 0.4(5) . . . . ?
C12 C13 C14 C15 -2.9(5) . . . . ?
C13 C14 C15 C16 2.1(5) . . . . ?
C26 O5 C16 C15 0.9(4) . . . . ?
C26 O5 C16 C11 -177.8(2) . . . . ?
C14 C15 C16 O5 -177.6(3) . . . . ?
C14 C15 C16 C11 1.1(4) . . . . ?
C12 C11 C16 O5 175.4(2) . . . . ?
C10 C11 C16 O5 -2.6(3) . . . . ?
C12 C11 C16 C15 -3.4(4) . . . . ?
C10 C11 C16 C15 178.6(2) . . . . ?
C9 Se1 C17 C18 24.1(3) . . . . ?
C9 Se1 C17 C22 -157.7(2) . . . . ?
C22 C17 C18 C19 0.8(4) . . . . ?
Se1 C17 C18 C19 179.0(2) . . . . ?
C17 C18 C19 C20 -1.4(5) . . . . ?
C18 C19 C20 C21 1.0(5) . . . . ?
C19 C20 C21 C22 0.0(5) . . . . ?
C20 C21 C22 C17 -0.6(5) . . . . ?
C18 C17 C22 C21 0.2(4) . . . . ?
Se1 C17 C22 C21 -178.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.15
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.047
