# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_compound7
_database_code_depnum_ccdc_archive 'CCDC 2057109'
loop_
_audit_author_name
_audit_author_address
'Xiangfeng Shao'
;Lanzhou University
China
;
_audit_update_record             
;
2021-01-19 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_compound7           
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.884 Why?
RESPONSE: The crystal is very small, therefore the completeness for data collection is poor
;
# Added during the CSD deposition process: Tuesday 19 January 2021 01:51 AM
# end Validation Reply Form

_audit_creation_date             2017-10-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C26 H18 O8 Se3'
_chemical_formula_sum            'C26 H18 O8 Se3'
_chemical_formula_weight         695.31
_chemical_oxdiff_formula         'C32 H32 N2 S3'
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Se -0.08110 2.30834 17.00060 5.81960 3.97310 4.35430 2.40980 0.27260 15.23720
43.81630 2.84089994431
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   8.7375(5)
_cell_length_b                   9.6492(7)
_cell_length_c                   15.5120(12)
_cell_angle_alpha                107.499(7)
_cell_angle_beta                 98.427(6)
_cell_angle_gamma                99.971(5)
_cell_volume                     1200.68(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2074
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      28.0220
_cell_measurement_theta_min      3.6810
_exptl_absorpt_coefficient_mu    4.647
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.14642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light black'
_exptl_crystal_density_diffrn    1.9231
_exptl_crystal_description       needle
_exptl_crystal_F_000             679.9018
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0970
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8742
_diffrn_reflns_theta_full        28.6341
_diffrn_reflns_theta_max         28.63
_diffrn_reflns_theta_min         3.35
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.8841
_diffrn_measured_fraction_theta_max 0.8841
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -6.00   25.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -      -19.5055  -99.0000   60.0000 31

#__ type_ start__ end____ width___ exp.time_
  2 omega  -48.00   45.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -57.0000  -90.0000 93

#__ type_ start__ end____ width___ exp.time_
  3 omega   55.00   93.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867   57.0000 -180.0000 38

#__ type_ start__ end____ width___ exp.time_
  4 omega   45.00  105.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867 -178.0000  -60.0000 60

#__ type_ start__ end____ width___ exp.time_
  5 omega  -46.00   35.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -57.0000   30.0000 81

#__ type_ start__ end____ width___ exp.time_
  6 omega  -19.00   44.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -99.0000  150.0000 63

#__ type_ start__ end____ width___ exp.time_
  7 omega   -1.00   27.00   1.0000    2.9100
omega____ theta____ kappa____ phi______ frames
    -       22.7867   77.0000   30.0000 28
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0278764000
_diffrn_orient_matrix_UB_12      -0.0766001000
_diffrn_orient_matrix_UB_13      -0.0270917000
_diffrn_orient_matrix_UB_21      0.0045544000
_diffrn_orient_matrix_UB_22      0.0182269000
_diffrn_orient_matrix_UB_23      -0.0407134000
_diffrn_orient_matrix_UB_31      0.0794592000
_diffrn_orient_matrix_UB_32      -0.0085646000
_diffrn_orient_matrix_UB_33      0.0038369000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                3781
_reflns_number_total             5440
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.3828
_refine_diff_density_min         -1.0817
_refine_diff_density_rms         0.2611
_refine_ls_d_res_high            0.7416
_refine_ls_d_res_low             6.0897
_refine_ls_goodness_of_fit_ref   1.0209
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    26
_refine_ls_number_parameters     336
_refine_ls_number_reflns         5440
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0540
_refine_ls_restrained_S_all      1.0209
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0398P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1212
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00U(H00a,H00b), C00W(H00f,H00g), C00X(H00h,H00i), C00Y(H00j,H00k), C00Z(H00l,
 H00m), C011(H01d,H01e)
2.b Idealised Me refined as rotating group:
 C00V(H00c,H00d,H00e), C010(H01a,H01b,H01c)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
Se01 Se 0.51781(6) 0.81433(6) 0.46432(4) 0.02854(16) Uani 1.000000 .
Se02 Se 0.09916(6) 0.52590(7) 0.71192(4) 0.02898(16) Uani 1.000000 .
Se03 Se 0.06606(6) 0.09746(6) 0.28923(4) 0.02961(16) Uani 1.000000 .
O004 O 0.5343(5) 0.9753(4) 0.6885(3) 0.0397(10) Uani 1.000000 .
O005 O 0.4385(4) 0.3424(4) 0.2465(3) 0.0328(10) Uani 1.000000 .
O006 O -0.1524(4) 0.0060(4) 0.4294(3) 0.0388(10) Uani 1.000000 .
O007 O 0.3303(4) 0.8761(4) 0.7855(3) 0.0365(10) Uani 1.000000 .
O008 O 0.5040(4) 0.6815(4) 0.2627(3) 0.0351(10) Uani 1.000000 .
O009 O 0.2502(4) 0.5472(5) 0.2293(3) 0.0355(10) Uani 1.000000 .
O00A O 0.2216(4) 0.1805(4) 0.1477(3) 0.0366(10) Uani 1.000000 .
O00B O -0.1272(5) 0.1727(5) 0.6103(3) 0.0386(10) Uani 1.000000 .
C00C C 0.2281(5) 0.3839(6) 0.3868(4) 0.0228(12) Uani 1.000000 .
C00D C 0.3229(6) 0.5395(6) 0.4243(4) 0.0231(12) Uani 1.000000 .
C00E C 0.4022(5) 0.6284(6) 0.3817(4) 0.0220(12) Uani 1.000000 .
C00F C 0.1358(6) 0.3316(6) 0.4449(4) 0.0227(12) Uani 1.000000 .
C00G C 0.0431(6) 0.1878(6) 0.4078(4) 0.0232(12) Uani 1.000000 .
C00H C 0.2090(6) 0.2730(6) 0.3026(4) 0.0235(12) Uani 1.000000 .
C00I C 0.3357(6) 0.6190(6) 0.5194(4) 0.0227(12) Uani 1.000000 .
C00J C -0.0600(6) 0.1276(6) 0.4608(4) 0.0278(13) Uani 1.000000 .
C00K C 0.1433(5) 0.4195(6) 0.5388(4) 0.0223(12) Uani 1.000000 .
C00L C 0.4300(6) 0.7618(6) 0.5559(4) 0.0241(12) Uani 1.000000 .
C00M C 0.3755(6) 0.6111(6) 0.2829(4) 0.0253(12) Uani 1.000000 .
C00N C 0.2442(6) 0.5617(6) 0.5765(4) 0.0226(12) Uani 1.000000 .
C00O C 0.4459(6) 0.8560(6) 0.6511(4) 0.0266(13) Uani 1.000000 .
C00P C -0.0493(6) 0.2257(6) 0.5649(4) 0.0277(13) Uani 1.000000 .
C00Q C 0.3027(6) 0.2725(6) 0.2307(4) 0.0263(12) Uani 1.000000 .
C00R C 0.3330(6) 0.7927(6) 0.7096(4) 0.0273(13) Uani 1.000000 .
C00S C 0.2399(6) 0.6401(6) 0.6656(4) 0.0240(12) Uani 1.000000 .
C00T C 0.0567(6) 0.3748(6) 0.5969(4) 0.0258(12) Uani 1.000000 .
C00U C 0.4864(7) 0.6893(8) 0.1689(4) 0.0453(17) Uani 1.000000 .
H00a H 0.3867(7) 0.6243(8) 0.1306(4) 0.054(2) Uiso 1.000000 R
H00b H 0.4860(7) 0.7906(8) 0.1707(4) 0.054(2) Uiso 1.000000 R
C00V C 0.9163(8) 0.6965(8) 0.1308(5) 0.056(2) Uani 1.000000 .
H00c H 0.900(3) 0.701(5) 0.0692(12) 0.083(3) Uiso 1.000000 GR
H00d H 1.0160(9) 0.762(3) 0.1664(17) 0.083(3) Uiso 1.000000 GR
H00e H 0.917(3) 0.596(2) 0.128(3) 0.083(3) Uiso 1.000000 GR
C00W C 0.7828(8) 0.7449(8) 0.1758(5) 0.0490(18) Uani 1.000000 .
H00f H 0.8056(8) 0.7505(8) 0.2401(5) 0.059(2) Uiso 1.000000 R
H00g H 0.7778(8) 0.8439(8) 0.1745(5) 0.059(2) Uiso 1.000000 R
C00X C 0.3087(8) 0.1649(8) 0.0727(4) 0.0502(19) Uani 1.000000 .
H00h H 0.2990(8) 0.2425(8) 0.0459(4) 0.060(2) Uiso 1.000000 R
H00i H 0.4206(8) 0.1757(8) 0.0970(4) 0.060(2) Uiso 1.000000 R
C00Y C 0.6258(8) 0.6403(8) 0.1286(4) 0.0508(19) Uani 1.000000 .
H00j H 0.6301(8) 0.5426(8) 0.1327(4) 0.061(2) Uiso 1.000000 R
H00k H 0.6065(8) 0.6306(8) 0.0637(4) 0.061(2) Uiso 1.000000 R
C00Z C 0.2449(10) 0.0198(9) 0.0025(5) 0.070(2) Uani 1.000000 .
H00l H 0.1354(10) 0.0149(9) -0.0235(5) 0.084(3) Uiso 1.000000 R
H00m H 0.3031(10) 0.0132(9) -0.0467(5) 0.084(3) Uiso 1.000000 R
C010 C 0.2077(12) -0.2564(10) -0.0349(6) 0.098(3) Uani 1.000000 .
H01a H 0.280(5) -0.266(2) -0.076(3) 0.148(5) Uiso 1.000000 GR
H01b H 0.214(7) -0.3258(11) -0.0021(7) 0.148(5) Uiso 1.000000 GR
H01c H 0.101(3) -0.277(3) -0.070(3) 0.148(5) Uiso 1.000000 GR
C011 C 0.2479(15) -0.1079(10) 0.0294(7) 0.120(4) Uani 1.000000 .
H01d H 0.3547(15) -0.0929(10) 0.0642(7) 0.144(5) Uiso 1.000000 R
H01e H 0.1780(15) -0.1059(10) 0.0727(7) 0.144(5) Uiso 1.000000 R


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 C00E 1.868(5) . ?
Se01 C00L 1.866(5) . ?
Se02 C00S 1.873(5) . ?
Se02 C00T 1.871(6) . ?
Se03 C00G 1.840(5) . ?
Se03 C00H 1.858(5) . ?
O004 C00O 1.191(6) . ?
O005 C00Q 1.208(6) . ?
O006 C00J 1.216(6) . ?
O007 C00R 1.216(6) . ?
O008 C00M 1.337(6) . ?
O008 C00U 1.466(7) . ?
O009 C00M 1.209(6) . ?
O00A C00Q 1.333(6) . ?
O00A C00X 1.466(6) . ?
O00B C00P 1.206(6) . ?
C00C C00D 1.477(7) . ?
C00C C00F 1.436(7) . ?
C00C C00H 1.384(7) . ?
C00D C00E 1.386(7) . ?
C00D C00I 1.421(7) . ?
C00E C00M 1.470(7) . ?
C00F C00G 1.381(7) . ?
C00F C00K 1.433(7) . ?
C00G C00J 1.466(7) . ?
C00H C00Q 1.476(7) . ?
C00I C00L 1.378(7) . ?
C00I C00N 1.442(7) . ?
C00J C00P 1.587(8) . ?
C00K C00N 1.397(7) . ?
C00K C00T 1.375(7) . ?
C00L C00O 1.455(7) . ?
C00N C00S 1.371(7) . ?
C00O C00R 1.599(7) . ?
C00P C00T 1.466(7) . ?
C00R C00S 1.455(8) . ?
C00U H00a 0.9700 . ?
C00U H00b 0.9700 . ?
C00U C00Y 1.531(9) . ?
C00V H00c 0.9600 . ?
C00V H00d 0.9600 . ?
C00V H00e 0.9600 . ?
C00V C00W 1.515(8) . ?
C00W H00f 0.9700 . ?
C00W H00g 0.9700 . ?
C00W C00Y 1.489(8) . ?
C00X H00h 0.9700 . ?
C00X H00i 0.9700 . ?
C00X C00Z 1.446(9) . ?
C00Y H00j 0.9700 . ?
C00Y H00k 0.9700 . ?
C00Z H00l 0.9700 . ?
C00Z H00m 0.9700 . ?
C00Z C011 1.418(11) . ?
C010 H01a 0.9600 . ?
C010 H01b 0.9600 . ?
C010 H01c 0.9600 . ?
C010 C011 1.427(11) . ?
C011 H01d 0.9700 . ?
C011 H01e 0.9700 . ?

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
C00L Se01 C00E 87.1(2) . . ?
C00T Se02 C00S 87.4(2) . . ?
C00H Se03 C00G 87.4(2) . . ?
C00U O008 C00M 116.5(4) . . ?
C00X O00A C00Q 115.6(4) . . ?
C00F C00C C00D 117.5(5) . . ?
C00H C00C C00D 131.6(5) . . ?
C00H C00C C00F 110.9(5) . . ?
C00E C00D C00C 131.1(5) . . ?
C00I C00D C00C 117.6(4) . . ?
C00I C00D C00E 111.3(5) . . ?
C00D C00E Se01 113.2(4) . . ?
C00M C00E Se01 116.8(4) . . ?
C00M C00E C00D 128.1(5) . . ?
C00G C00F C00C 116.9(5) . . ?
C00K C00F C00C 122.6(5) . . ?
C00K C00F C00G 120.4(5) . . ?
C00F C00G Se03 111.0(4) . . ?
C00J C00G Se03 128.4(4) . . ?
C00J C00G C00F 120.5(5) . . ?
C00C C00H Se03 113.7(4) . . ?
C00Q C00H Se03 118.1(4) . . ?
C00Q C00H C00C 127.6(5) . . ?
C00L C00I C00D 118.0(5) . . ?
C00N C00I C00D 122.8(5) . . ?
C00N C00I C00L 119.0(5) . . ?
C00G C00J O006 123.4(5) . . ?
C00P C00J O006 118.3(5) . . ?
C00P C00J C00G 118.3(5) . . ?
C00N C00K C00F 119.4(5) . . ?
C00T C00K C00F 124.8(5) . . ?
C00T C00K C00N 115.7(5) . . ?
C00I C00L Se01 110.0(4) . . ?
C00O C00L Se01 127.1(4) . . ?
C00O C00L C00I 122.7(5) . . ?
O009 C00M O008 125.6(5) . . ?
C00E C00M O008 111.0(4) . . ?
C00E C00M O009 123.3(5) . . ?
C00K C00N C00I 119.3(5) . . ?
C00S C00N C00I 125.0(5) . . ?
C00S C00N C00K 115.6(5) . . ?
C00L C00O O004 125.7(5) . . ?
C00R C00O O004 117.8(5) . . ?
C00R C00O C00L 116.5(5) . . ?
C00J C00P O00B 118.3(5) . . ?
C00T C00P O00B 126.0(6) . . ?
C00T C00P C00J 115.7(5) . . ?
O00A C00Q O005 124.6(5) . . ?
C00H C00Q O005 123.8(5) . . ?
C00H C00Q O00A 111.6(5) . . ?
C00O C00R O007 117.7(5) . . ?
C00S C00R O007 125.9(5) . . ?
C00S C00R C00O 116.3(5) . . ?
C00N C00S Se02 110.7(4) . . ?
C00R C00S Se02 129.1(4) . . ?
C00R C00S C00N 120.1(5) . . ?
C00K C00T Se02 110.5(4) . . ?
C00P C00T Se02 129.4(4) . . ?
C00P C00T C00K 120.0(5) . . ?
H00a C00U O008 110.0(3) . . ?
H00b C00U O008 110.0(3) . . ?
H00b C00U H00a 108.4 . . ?
C00Y C00U O008 108.4(5) . . ?
C00Y C00U H00a 110.0(4) . . ?
C00Y C00U H00b 110.0(4) . . ?
H00d C00V H00c 109.5 . . ?
H00e C00V H00c 109.5 . . ?
H00e C00V H00d 109.5 . . ?
C00W C00V H00c 109.5 . . ?
C00W C00V H00d 109.5 . . ?
C00W C00V H00e 109.5 . . ?
H00f C00W C00V 109.2(4) . . ?
H00g C00W C00V 109.2(4) . . ?
H00g C00W H00f 107.9 . . ?
C00Y C00W C00V 112.3(6) . . ?
C00Y C00W H00f 109.2(4) . . ?
C00Y C00W H00g 109.2(4) . . ?
H00h C00X O00A 109.8(3) . . ?
H00i C00X O00A 109.8(3) . . ?
H00i C00X H00h 108.2 . . ?
C00Z C00X O00A 109.6(5) . . ?
C00Z C00X H00h 109.8(5) . . ?
C00Z C00X H00i 109.8(5) . . ?
C00W C00Y C00U 113.9(6) . . ?
H00j C00Y C00U 108.8(4) . . ?
H00j C00Y C00W 108.8(4) . . ?
H00k C00Y C00U 108.8(3) . . ?
H00k C00Y C00W 108.8(4) . . ?
H00k C00Y H00j 107.7 . . ?
H00l C00Z C00X 107.9(5) . . ?
H00m C00Z C00X 107.9(4) . . ?
H00m C00Z H00l 107.2 . . ?
C011 C00Z C00X 117.7(8) . . ?
C011 C00Z H00l 107.9(6) . . ?
C011 C00Z H00m 107.9(5) . . ?
H01b C010 H01a 109.5 . . ?
H01c C010 H01a 109.5 . . ?
H01c C010 H01b 109.5 . . ?
C011 C010 H01a 109.5 . . ?
C011 C010 H01b 109.5 . . ?
C011 C010 H01c 109.5 . . ?
C010 C011 C00Z 123.1(10) . . ?
H01d C011 C00Z 106.6(6) . . ?
H01d C011 C010 106.6(7) . . ?
H01e C011 C00Z 106.6(5) . . ?
H01e C011 C010 106.6(5) . . ?
H01e C011 H01d 106.5 . . ?


_olex2_date_sample_data_collection 2017-10-01
_olex2_submission_special_instructions 'No special instructions were received'
_chemical_name_systematic        'Compound 7'
_chemical_name_common            'Compound 7'
_chemical_melting_point          512
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Dichloromethane'
_chemical_properties_physical    Photo-sensitive
