# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2080394'
loop_
_audit_author_name
_audit_author_address
'Shuai Wang'
;Changchun Institute of Applied Chemistry Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-04-27 deposited with the CCDC.	2021-06-23 downloaded from the CCDC.
;
_audit_creation_date             2021-04-27
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H19 N O Se'
_chemical_formula_sum            'C31 H19 N O Se'
_chemical_formula_weight         500.43
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   4.0113(4)
_cell_length_b                   20.9812(19)
_cell_length_c                   25.560(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.065(3)
_cell_angle_gamma                90
_cell_volume                     2145.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    301.0
_cell_measurement_theta_max      27.759
_cell_measurement_theta_min      2.586
_shelx_estimated_absorpt_T_max   0.696
_shelx_estimated_absorpt_T_min   0.530
_exptl_absorpt_coefficient_mu    1.777
_exptl_absorpt_correction_T_max  0.675
_exptl_absorpt_correction_T_min  0.618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0902
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            57833
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.611
_diffrn_reflns_theta_min         2.099
_diffrn_ambient_temperature      301.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4143
_reflns_number_total             6586
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.970
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         6586
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0586P)²+1.2243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1357
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C008(H008), C009(H009), C00B(H00B), C00E(H00E), C00F(H00F), C00I(H00I),
 C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q), C00R(H00R),
 C00S(H00S), C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X),
 C00Y(H00Y)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Se01 Se 0.35459(8) 0.25809(2) 0.44403(2) 0.04240(11) Uani 1 1 d . . . . .
N002 N 1.1516(6) 0.58676(11) 0.72721(8) 0.0389(5) Uani 1 1 d . . . . .
O003 O 0.3346(8) 0.23097(12) 0.62009(8) 0.0705(8) Uani 1 1 d . . . . .
C004 C 0.4807(7) 0.29848(12) 0.55265(9) 0.0338(5) Uani 1 1 d . . . . .
C005 C 0.5118(7) 0.31179(13) 0.49949(9) 0.0341(5) Uani 1 1 d . . . . .
C006 C 1.1475(7) 0.65473(13) 0.72801(10) 0.0366(6) Uani 1 1 d . . . . .
C007 C 0.1834(7) 0.19057(13) 0.48219(10) 0.0382(6) Uani 1 1 d . . . . .
C008 C 0.5970(7) 0.34453(13) 0.58973(10) 0.0367(6) Uani 1 1 d . . . . .
H008 H 0.578219 0.336180 0.625132 0.044 Uiso 1 1 calc R U . . .
C009 C 1.2654(8) 0.68923(14) 0.68716(11) 0.0432(6) Uani 1 1 d . . . . .
H009 H 1.344518 0.668180 0.658512 0.052 Uiso 1 1 calc R U . . .
C00A C 0.3313(8) 0.23966(13) 0.57291(11) 0.0408(6) Uani 1 1 d . . . . .
C00B C 0.8881(7) 0.56455(13) 0.63636(10) 0.0396(6) Uani 1 1 d . . . . .
H00B H 0.850793 0.606973 0.627176 0.048 Uiso 1 1 calc R U . . .
C00C C 0.8449(7) 0.45117(13) 0.61443(10) 0.0373(6) Uani 1 1 d . . . . .
C00D C 0.1808(7) 0.18951(13) 0.53712(10) 0.0369(6) Uani 1 1 d . . . . .
C00E C 1.0277(7) 0.68615(13) 0.77059(11) 0.0417(6) Uani 1 1 d . . . . .
H00E H 0.945172 0.663022 0.797891 0.050 Uiso 1 1 calc R U . . .
C00F C 0.9945(7) 0.43568(13) 0.66361(10) 0.0377(6) Uani 1 1 d . . . . .
H00F H 1.029395 0.393189 0.672818 0.045 Uiso 1 1 calc R U . . .
C00G C 1.0394(7) 0.54799(13) 0.68529(10) 0.0363(6) Uani 1 1 d . . . . .
C00H C 0.7372(7) 0.40137(13) 0.57569(10) 0.0367(6) Uani 1 1 d . . . . .
C00I C 0.7956(7) 0.51587(13) 0.60203(11) 0.0405(6) Uani 1 1 d . . . . .
H00I H 0.696086 0.526379 0.569193 0.049 Uiso 1 1 calc R U . . .
C00J C 1.0918(7) 0.48369(13) 0.69897(10) 0.0362(6) Uani 1 1 d . . . . .
C00K C 1.2802(7) 0.54735(13) 0.76781(10) 0.0369(6) Uani 1 1 d . . . . .
C00L C 1.2488(7) 0.48330(13) 0.75183(10) 0.0371(6) Uani 1 1 d . . . . .
C00M C 0.7718(7) 0.41217(13) 0.52178(11) 0.0411(6) Uani 1 1 d . . . . .
H00M H 0.870340 0.449679 0.511128 0.049 Uiso 1 1 calc R U . . .
C00N C 0.6616(7) 0.36794(13) 0.48497(10) 0.0396(6) Uani 1 1 d . . . . .
H00N H 0.687906 0.375798 0.449695 0.047 Uiso 1 1 calc R U . . .
C00O C 1.4277(8) 0.56331(14) 0.81717(11) 0.0434(7) Uani 1 1 d . . . . .
H00O H 1.449470 0.605571 0.827852 0.052 Uiso 1 1 calc R U . . .
C00P C 1.3629(8) 0.43478(14) 0.78547(11) 0.0466(7) Uani 1 1 d . . . . .
H00P H 1.340560 0.392323 0.775356 0.056 Uiso 1 1 calc R U . . .
C00Q C 0.0502(8) 0.13939(14) 0.45262(12) 0.0498(7) Uani 1 1 d . . . . .
H00Q H 0.056717 0.139780 0.416319 0.060 Uiso 1 1 calc R U . . .
C00R C 1.2656(9) 0.75505(14) 0.68891(13) 0.0503(8) Uani 1 1 d . . . . .
H00R H 1.344585 0.778275 0.661373 0.060 Uiso 1 1 calc R U . . .
C00S C 1.0315(9) 0.75207(14) 0.77225(13) 0.0493(8) Uani 1 1 d . . . . .
H00S H 0.954655 0.773282 0.800986 0.059 Uiso 1 1 calc R U . . .
C00T C 1.1491(8) 0.78638(15) 0.73135(13) 0.0509(8) Uani 1 1 d . . . . .
H00T H 1.149711 0.830686 0.732426 0.061 Uiso 1 1 calc R U . . .
C00U C 0.0344(8) 0.13726(14) 0.56022(12) 0.0457(7) Uani 1 1 d . . . . .
H00U H 0.027253 0.136058 0.596493 0.055 Uiso 1 1 calc R U . . .
C00V C 1.5106(8) 0.45075(15) 0.83433(12) 0.0520(8) Uani 1 1 d . . . . .
H00V H 1.590670 0.418809 0.857122 0.062 Uiso 1 1 calc R U . . .
C00W C -0.0999(8) 0.08742(15) 0.53073(14) 0.0538(8) Uani 1 1 d . . . . .
H00W H -0.196859 0.053148 0.547045 0.065 Uiso 1 1 calc R U . . .
C00X C 1.5398(8) 0.51407(15) 0.84947(12) 0.0497(7) Uani 1 1 d . . . . .
H00X H 1.638359 0.523642 0.882563 0.060 Uiso 1 1 calc R U . . .
C00Y C -0.0902(9) 0.08847(15) 0.47678(14) 0.0573(9) Uani 1 1 d . . . . .
H00Y H -0.178946 0.054668 0.456788 0.069 Uiso 1 1 calc R U . . .


_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
Se01 C005 1.884(2) . ?
Se01 C007 1.877(3) . ?
N002 C006 1.426(3) . ?
N002 C00G 1.394(3) . ?
N002 C00K 1.397(3) . ?
O003 C00A 1.219(3) . ?
C004 C005 1.402(3) . ?
C004 C008 1.409(3) . ?
C004 C00A 1.481(4) . ?
C005 C00N 1.385(4) . ?
C006 C009 1.381(4) . ?
C006 C00E 1.387(4) . ?
C007 C00D 1.405(4) . ?
C007 C00Q 1.397(4) . ?
C008 H008 0.9300 . ?
C008 C00H 1.377(4) . ?
C009 H009 0.9300 . ?
C009 C00R 1.382(4) . ?
C00A C00D 1.493(4) . ?
C00B H00B 0.9300 . ?
C00B C00G 1.395(4) . ?
C00B C00I 1.380(4) . ?
C00C C00F 1.392(4) . ?
C00C C00H 1.483(4) . ?
C00C C00I 1.405(4) . ?
C00D C00U 1.395(4) . ?
C00E H00E 0.9300 . ?
C00E C00S 1.384(4) . ?
C00F H00F 0.9300 . ?
C00F C00J 1.391(3) . ?
C00G C00J 1.406(4) . ?
C00H C00M 1.413(4) . ?
C00I H00I 0.9300 . ?
C00J C00L 1.450(4) . ?
C00K C00L 1.408(4) . ?
C00K C00O 1.396(4) . ?
C00L C00P 1.389(4) . ?
C00M H00M 0.9300 . ?
C00M C00N 1.372(4) . ?
C00N H00N 0.9300 . ?
C00O H00O 0.9300 . ?
C00O C00X 1.378(4) . ?
C00P H00P 0.9300 . ?
C00P C00V 1.385(4) . ?
C00Q H00Q 0.9300 . ?
C00Q C00Y 1.375(5) . ?
C00R H00R 0.9300 . ?
C00R C00T 1.378(4) . ?
C00S H00S 0.9300 . ?
C00S C00T 1.380(4) . ?
C00T H00T 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00W 1.376(4) . ?
C00V H00V 0.9300 . ?
C00V C00X 1.386(4) . ?
C00W H00W 0.9300 . ?
C00W C00Y 1.383(5) . ?
C00X H00X 0.9300 . ?
C00Y H00Y 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
C007 Se01 C005 100.11(11) . . ?
C00G N002 C006 126.2(2) . . ?
C00G N002 C00K 107.9(2) . . ?
C00K N002 C006 125.8(2) . . ?
C005 C004 C008 117.9(2) . . ?
C005 C004 C00A 124.8(2) . . ?
C008 C004 C00A 117.3(2) . . ?
C004 C005 Se01 124.2(2) . . ?
C00N C005 Se01 115.82(19) . . ?
C00N C005 C004 120.0(2) . . ?
C009 C006 N002 120.5(2) . . ?
C009 C006 C00E 120.0(3) . . ?
C00E C006 N002 119.4(2) . . ?
C00D C007 Se01 124.1(2) . . ?
C00Q C007 Se01 116.0(2) . . ?
C00Q C007 C00D 119.9(3) . . ?
C004 C008 H008 118.6 . . ?
C00H C008 C004 122.7(2) . . ?
C00H C008 H008 118.6 . . ?
C006 C009 H009 120.0 . . ?
C006 C009 C00R 119.9(3) . . ?
C00R C009 H009 120.0 . . ?
O003 C00A C004 119.6(3) . . ?
O003 C00A C00D 118.4(3) . . ?
C004 C00A C00D 121.9(2) . . ?
C00G C00B H00B 121.1 . . ?
C00I C00B H00B 121.1 . . ?
C00I C00B C00G 117.8(2) . . ?
C00F C00C C00H 121.7(2) . . ?
C00F C00C C00I 118.3(2) . . ?
C00I C00C C00H 120.0(2) . . ?
C007 C00D C00A 124.7(3) . . ?
C00U C00D C007 117.9(3) . . ?
C00U C00D C00A 117.3(2) . . ?
C006 C00E H00E 120.2 . . ?
C00S C00E C006 119.7(3) . . ?
C00S C00E H00E 120.2 . . ?
C00C C00F H00F 120.0 . . ?
C00J C00F C00C 120.0(2) . . ?
C00J C00F H00F 120.0 . . ?
N002 C00G C00B 129.8(2) . . ?
N002 C00G C00J 109.5(2) . . ?
C00B C00G C00J 120.7(2) . . ?
C008 C00H C00C 122.8(2) . . ?
C008 C00H C00M 117.6(2) . . ?
C00M C00H C00C 119.6(2) . . ?
C00B C00I C00C 123.0(2) . . ?
C00B C00I H00I 118.5 . . ?
C00C C00I H00I 118.5 . . ?
C00F C00J C00G 120.2(2) . . ?
C00F C00J C00L 133.2(2) . . ?
C00G C00J C00L 106.5(2) . . ?
N002 C00K C00L 109.2(2) . . ?
C00O C00K N002 129.8(3) . . ?
C00O C00K C00L 121.0(2) . . ?
C00K C00L C00J 106.8(2) . . ?
C00P C00L C00J 133.1(3) . . ?
C00P C00L C00K 120.1(2) . . ?
C00H C00M H00M 119.6 . . ?
C00N C00M C00H 120.7(3) . . ?
C00N C00M H00M 119.6 . . ?
C005 C00N H00N 119.5 . . ?
C00M C00N C005 121.1(2) . . ?
C00M C00N H00N 119.5 . . ?
C00K C00O H00O 121.3 . . ?
C00X C00O C00K 117.5(3) . . ?
C00X C00O H00O 121.3 . . ?
C00L C00P H00P 120.6 . . ?
C00V C00P C00L 118.8(3) . . ?
C00V C00P H00P 120.6 . . ?
C007 C00Q H00Q 119.8 . . ?
C00Y C00Q C007 120.5(3) . . ?
C00Y C00Q H00Q 119.8 . . ?
C009 C00R H00R 119.9 . . ?
C00T C00R C009 120.2(3) . . ?
C00T C00R H00R 119.9 . . ?
C00E C00S H00S 119.9 . . ?
C00T C00S C00E 120.1(3) . . ?
C00T C00S H00S 119.9 . . ?
C00R C00T C00S 120.0(3) . . ?
C00R C00T H00T 120.0 . . ?
C00S C00T H00T 120.0 . . ?
C00D C00U H00U 119.1 . . ?
C00W C00U C00D 121.7(3) . . ?
C00W C00U H00U 119.1 . . ?
C00P C00V H00V 119.8 . . ?
C00P C00V C00X 120.4(3) . . ?
C00X C00V H00V 119.8 . . ?
C00U C00W H00W 120.1 . . ?
C00U C00W C00Y 119.8(3) . . ?
C00Y C00W H00W 120.1 . . ?
C00O C00X C00V 122.3(3) . . ?
C00O C00X H00X 118.9 . . ?
C00V C00X H00X 118.9 . . ?
C00Q C00Y C00W 120.1(3) . . ?
C00Q C00Y H00Y 119.9 . . ?
C00W C00Y H00Y 119.9 . . ?

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
Se01 C005 C00N C00M 177.0(2) . . . . ?
Se01 C007 C00D C00A -3.9(4) . . . . ?
Se01 C007 C00D C00U 177.7(2) . . . . ?
Se01 C007 C00Q C00Y -178.1(2) . . . . ?
N002 C006 C009 C00R -178.8(3) . . . . ?
N002 C006 C00E C00S 178.2(3) . . . . ?
N002 C00G C00J C00F 179.0(3) . . . . ?
N002 C00G C00J C00L -0.8(3) . . . . ?
N002 C00K C00L C00J -0.3(3) . . . . ?
N002 C00K C00L C00P 179.3(3) . . . . ?
N002 C00K C00O C00X -178.7(3) . . . . ?
O003 C00A C00D C007 -174.6(3) . . . . ?
O003 C00A C00D C00U 3.8(4) . . . . ?
C004 C005 C00N C00M -2.1(4) . . . . ?
C004 C008 C00H C00C 177.0(3) . . . . ?
C004 C008 C00H C00M -1.8(4) . . . . ?
C004 C00A C00D C007 4.2(4) . . . . ?
C004 C00A C00D C00U -177.4(3) . . . . ?
C005 Se01 C007 C00D 2.3(3) . . . . ?
C005 Se01 C007 C00Q -178.2(2) . . . . ?
C005 C004 C008 C00H 0.2(4) . . . . ?
C005 C004 C00A O003 175.5(3) . . . . ?
C005 C004 C00A C00D -3.3(4) . . . . ?
C006 N002 C00G C00B -2.9(5) . . . . ?
C006 N002 C00G C00J 178.6(3) . . . . ?
C006 N002 C00K C00L -178.2(3) . . . . ?
C006 N002 C00K C00O 0.5(5) . . . . ?
C006 C009 C00R C00T 0.1(5) . . . . ?
C006 C00E C00S C00T 1.0(5) . . . . ?
C007 Se01 C005 C004 -1.5(3) . . . . ?
C007 Se01 C005 C00N 179.5(2) . . . . ?
C007 C00D C00U C00W 1.0(4) . . . . ?
C007 C00Q C00Y C00W -0.2(5) . . . . ?
C008 C004 C005 Se01 -177.19(19) . . . . ?
C008 C004 C005 C00N 1.8(4) . . . . ?
C008 C004 C00A O003 -5.1(4) . . . . ?
C008 C004 C00A C00D 176.1(3) . . . . ?
C008 C00H C00M C00N 1.5(4) . . . . ?
C009 C006 C00E C00S -0.9(4) . . . . ?
C009 C00R C00T C00S 0.0(5) . . . . ?
C00A C004 C005 Se01 2.2(4) . . . . ?
C00A C004 C005 C00N -178.8(3) . . . . ?
C00A C004 C008 C00H -179.3(3) . . . . ?
C00A C00D C00U C00W -177.6(3) . . . . ?
C00B C00G C00J C00F 0.4(4) . . . . ?
C00B C00G C00J C00L -179.5(3) . . . . ?
C00C C00F C00J C00G 0.1(4) . . . . ?
C00C C00F C00J C00L 179.8(3) . . . . ?
C00C C00H C00M C00N -177.3(3) . . . . ?
C00D C007 C00Q C00Y 1.4(5) . . . . ?
C00D C00U C00W C00Y 0.2(5) . . . . ?
C00E C006 C009 C00R 0.4(5) . . . . ?
C00E C00S C00T C00R -0.5(5) . . . . ?
C00F C00C C00H C008 38.0(4) . . . . ?
C00F C00C C00H C00M -143.2(3) . . . . ?
C00F C00C C00I C00B -0.1(4) . . . . ?
C00F C00J C00L C00K -179.1(3) . . . . ?
C00F C00J C00L C00P 1.4(6) . . . . ?
C00G N002 C006 C009 -47.8(4) . . . . ?
C00G N002 C006 C00E 133.0(3) . . . . ?
C00G N002 C00K C00L -0.2(3) . . . . ?
C00G N002 C00K C00O 178.5(3) . . . . ?
C00G C00B C00I C00C 0.5(5) . . . . ?
C00G C00J C00L C00K 0.7(3) . . . . ?
C00G C00J C00L C00P -178.9(3) . . . . ?
C00H C00C C00F C00J -179.9(3) . . . . ?
C00H C00C C00I C00B 179.6(3) . . . . ?
C00H C00M C00N C005 0.4(4) . . . . ?
C00I C00B C00G N002 -178.9(3) . . . . ?
C00I C00B C00G C00J -0.6(4) . . . . ?
C00I C00C C00F C00J -0.2(4) . . . . ?
C00I C00C C00H C008 -141.7(3) . . . . ?
C00I C00C C00H C00M 37.1(4) . . . . ?
C00J C00L C00P C00V 178.7(3) . . . . ?
C00K N002 C006 C009 129.7(3) . . . . ?
C00K N002 C006 C00E -49.5(4) . . . . ?
C00K N002 C00G C00B 179.1(3) . . . . ?
C00K N002 C00G C00J 0.7(3) . . . . ?
C00K C00L C00P C00V -0.8(5) . . . . ?
C00K C00O C00X C00V 0.1(5) . . . . ?
C00L C00K C00O C00X -0.2(4) . . . . ?
C00L C00P C00V C00X 0.8(5) . . . . ?
C00O C00K C00L C00J -179.1(3) . . . . ?
C00O C00K C00L C00P 0.5(4) . . . . ?
C00P C00V C00X C00O -0.5(5) . . . . ?
C00Q C007 C00D C00A 176.6(3) . . . . ?
C00Q C007 C00D C00U -1.8(4) . . . . ?
C00U C00W C00Y C00Q -0.6(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
