# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
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data_a_sq
_audit_block_doi                 10.5517/ccdc.csd.cc280cf3
_database_code_depnum_ccdc_archive 'CCDC 2085724'
loop_
_audit_author_name
_audit_author_address
'Zi-Jian Li'
;Shanghai Institute of Applied Physics, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-05-25 deposited with the CCDC.	2021-08-25 downloaded from the CCDC.
;
_audit_creation_date             2020-07-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H16 Ce O8'
_chemical_formula_sum            'C29 H16 Ce O8'
_chemical_formula_weight         632.54
_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'
Ce Ce -0.2486 2.6331 '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'

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

_cell_length_a                   12.1829(10)
_cell_length_b                   14.9798(13)
_cell_length_c                   15.5382(13)
_cell_angle_alpha                67.680(3)
_cell_angle_beta                 69.005(3)
_cell_angle_gamma                67.206(3)
_cell_volume                     2343.1(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9848
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.576
_cell_measurement_theta_min      2.400
_shelx_estimated_absorpt_T_max   0.907
_shelx_estimated_absorpt_T_min   0.825
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6258
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0871 before and 0.0534 after correction. The Ratio of minimum to maximum transmission is 0.8393. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.897
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38851
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.628
_diffrn_reflns_theta_min         2.070
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker D8-Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9564
_reflns_number_total             10628
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.167
_refine_diff_density_min         -1.619
_refine_diff_density_rms         0.121
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         10628
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.081
_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)+(0.0603P)²+5.5610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1235
_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:
 C9(H9), C13(H13), C14(H14), C15(H15), C17(H17), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Ce1 Ce 0.98368(2) -0.11706(2) 0.12520(2) 0.02199(7) Uani 1 1 d . . . . .
O1 O 0.8849(3) 0.0650(2) 0.0749(2) 0.0309(6) Uani 1 1 d . . . . .
O2 O 0.1967(3) 0.1323(2) 0.72429(19) 0.0343(7) Uani 1 1 d . . . . .
O3 O 0.0834(3) 0.7164(2) 0.2371(2) 0.0350(7) Uani 1 1 d . . . . .
O4 O 0.1427(3) 0.0972(2) -0.02638(19) 0.0314(6) Uani 1 1 d . . . . .
O5 O 0.1439(3) -0.0414(2) 0.09932(19) 0.0293(6) Uani 1 1 d . . . . .
O6 O -0.0432(3) 0.7074(2) 0.1704(2) 0.0321(6) Uani 1 1 d . . . . .
O7 O 0.8335(3) 0.2154(2) -0.0268(2) 0.0369(7) Uani 1 1 d . . . . .
O8 O 0.0512(3) 0.0804(2) 0.7204(2) 0.0415(8) Uani 1 1 d . . . . .
C1 C 0.1901(3) 0.0937(3) 0.1098(3) 0.0262(8) Uani 1 1 d . . . . .
C2 C 0.6753(4) 0.1698(3) 0.1082(3) 0.0297(8) Uani 1 1 d . . . . .
C3 C 0.1026(4) 0.5533(3) 0.2304(2) 0.0241(7) Uani 1 1 d . . . . .
C4 C 0.8066(4) 0.1483(3) 0.0488(3) 0.0301(8) Uani 1 1 d . . . . .
C5 C 0.2217(3) 0.3480(3) 0.2460(2) 0.0234(7) Uani 1 1 d . . . . .
C6 C 0.0431(4) 0.6658(3) 0.2125(3) 0.0281(8) Uani 1 1 d . . . . .
C7 C 0.1435(4) 0.1152(3) 0.6794(3) 0.0323(9) Uani 1 1 d . . . . .
C8 C 0.2588(3) 0.1912(3) 0.3700(3) 0.0265(8) Uani 1 1 d . . . . .
C9 C 0.6349(4) 0.1000(3) 0.1912(3) 0.0316(9) Uani 1 1 d . . . . .
H9 H 0.6914 0.0373 0.2140 0.038 Uiso 1 1 calc R . . . .
C10 C 0.1855(4) 0.1392(3) 0.5715(3) 0.0312(9) Uani 1 1 d . . . . .
C11 C 0.1562(3) 0.0463(3) 0.0574(3) 0.0274(8) Uani 1 1 d . . . . .
C12 C 0.2464(3) 0.1857(3) 0.2103(3) 0.0253(7) Uani 1 1 d . . . . .
C13 C 0.2108(4) 0.0424(3) 0.2007(3) 0.0355(9) Uani 1 1 d . . . . .
H13 H 0.2051 -0.0245 0.2298 0.043 Uiso 1 1 calc R . . . .
C14 C 0.2153(4) 0.5102(3) 0.2508(3) 0.0361(9) Uani 1 1 d . . . . .
H14 H 0.2524 0.5499 0.2603 0.043 Uiso 1 1 calc R . . . .
C15 C 0.3351(4) 0.1818(3) 0.4233(3) 0.0345(9) Uani 1 1 d . . . . .
H15 H 0.4132 0.1930 0.3910 0.041 Uiso 1 1 calc R . . . .
C16 C 0.4271(4) 0.2136(3) 0.2112(3) 0.0276(8) Uani 1 1 d . . . . .
C17 C 0.1086(4) 0.1485(4) 0.5198(3) 0.0393(10) Uani 1 1 d . . . . .
H17 H 0.0306 0.1372 0.5525 0.047 Uiso 1 1 calc R . . . .
C18 C 0.2897(3) 0.2334(3) 0.2597(2) 0.0245(7) Uani 1 1 d . . . . .
C19 C 0.1045(4) 0.3917(3) 0.2317(3) 0.0315(8) Uani 1 1 d . . . . .
H19 H 0.0632 0.3514 0.2281 0.038 Uiso 1 1 calc R . . . .
C20 C 0.0466(4) 0.4931(3) 0.2225(3) 0.0314(8) Uani 1 1 d . . . . .
H20 H -0.0329 0.5220 0.2106 0.038 Uiso 1 1 calc R . . . .
C21 C 0.2007(5) 0.1909(3) 0.0690(3) 0.0390(10) Uani 1 1 d . . . . .
H21 H 0.1888 0.2272 0.0064 0.047 Uiso 1 1 calc R . . . .
C22 C 0.4701(4) 0.2830(3) 0.1271(3) 0.0466(13) Uani 1 1 d . . . . .
H22 H 0.4146 0.3464 0.1045 0.056 Uiso 1 1 calc R . . . .
C23 C 0.2396(4) 0.0872(3) 0.2495(3) 0.0358(9) Uani 1 1 d . . . . .
H23 H 0.2551 0.0500 0.3110 0.043 Uiso 1 1 calc R . . . .
C24 C 0.5117(4) 0.1214(3) 0.2413(3) 0.0311(9) Uani 1 1 d . . . . .
H24 H 0.4848 0.0721 0.2971 0.037 Uiso 1 1 calc R . . . .
C25 C 0.5920(4) 0.2607(3) 0.0765(3) 0.0423(11) Uani 1 1 d . . . . .
H25 H 0.6187 0.3087 0.0191 0.051 Uiso 1 1 calc R . . . .
C26 C 0.2762(4) 0.4078(3) 0.2577(3) 0.0368(9) Uani 1 1 d . . . . .
H26 H 0.3552 0.3788 0.2705 0.044 Uiso 1 1 calc R . . . .
C27 C 0.1442(4) 0.1747(4) 0.4189(3) 0.0381(10) Uani 1 1 d . . . . .
H27 H 0.0903 0.1812 0.3839 0.046 Uiso 1 1 calc R . . . .
C28 C 0.2988(4) 0.1561(4) 0.5233(3) 0.0368(9) Uani 1 1 d . . . . .
H28 H 0.3521 0.1502 0.5586 0.044 Uiso 1 1 calc R . . . .
C29 C 0.2282(5) 0.2351(3) 0.1183(3) 0.0398(11) Uani 1 1 d . . . . .
H29 H 0.2352 0.3017 0.0887 0.048 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
Ce1 O1 2.452(3) . ?
Ce1 O1 2.898(3) 2_755 ?
Ce1 O2 2.579(3) 2_656 ?
Ce1 O3 2.567(3) 1_645 ?
Ce1 O4 2.410(3) 2_655 ?
Ce1 O5 2.462(3) 1_655 ?
Ce1 O6 2.572(3) 1_645 ?
Ce1 O7 2.490(3) 2_755 ?
Ce1 O8 2.515(3) 2_656 ?
Ce1 C4 3.024(4) 2_755 ?
Ce1 C6 2.910(4) 1_645 ?
Ce1 C7 2.878(4) 2_656 ?
O1 Ce1 2.898(3) 2_755 ?
O1 C4 1.265(5) . ?
O2 Ce1 2.579(3) 2_656 ?
O2 C7 1.250(5) . ?
O3 Ce1 2.567(3) 1_465 ?
O3 C6 1.265(5) . ?
O4 Ce1 2.410(3) 2_655 ?
O4 C11 1.268(5) . ?
O5 Ce1 2.462(3) 1_455 ?
O5 C11 1.267(5) . ?
O6 Ce1 2.572(3) 1_465 ?
O6 C6 1.264(5) . ?
O7 Ce1 2.490(3) 2_755 ?
O7 C4 1.257(5) . ?
O8 Ce1 2.515(3) 2_656 ?
O8 C7 1.277(5) . ?
C1 C11 1.498(6) . ?
C1 C13 1.389(6) . ?
C1 C21 1.387(5) . ?
C2 C4 1.510(5) . ?
C2 C9 1.385(5) . ?
C2 C25 1.381(6) . ?
C3 C6 1.512(5) . ?
C3 C14 1.367(6) . ?
C3 C20 1.385(5) . ?
C4 Ce1 3.024(4) 2_755 ?
C5 C18 1.557(5) . ?
C5 C19 1.382(6) . ?
C5 C26 1.396(6) . ?
C6 Ce1 2.910(4) 1_465 ?
C7 Ce1 2.878(4) 2_656 ?
C7 C10 1.507(5) . ?
C8 C15 1.390(6) . ?
C8 C18 1.542(5) . ?
C8 C27 1.396(6) . ?
C9 C24 1.394(5) . ?
C10 C17 1.378(7) . ?
C10 C28 1.385(6) . ?
C12 C18 1.541(5) . ?
C12 C23 1.389(5) . ?
C12 C29 1.392(6) . ?
C13 C23 1.382(6) . ?
C14 C26 1.403(6) . ?
C15 C28 1.395(6) . ?
C16 C18 1.529(5) . ?
C16 C22 1.401(5) . ?
C16 C24 1.393(5) . ?
C17 C27 1.405(6) . ?
C19 C20 1.379(5) . ?
C21 C29 1.370(6) . ?
C22 C25 1.383(6) . ?

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
O1 Ce1 O1 78.66(9) . 2_755 ?
O1 Ce1 O2 89.33(9) . 2_656 ?
O1 Ce1 O3 155.47(10) . 1_645 ?
O1 Ce1 O5 75.95(9) . 1_655 ?
O1 Ce1 O6 144.79(10) . 1_645 ?
O1 Ce1 O7 125.83(9) . 2_755 ?
O1 Ce1 O8 82.21(10) . 2_656 ?
O1 Ce1 C4 101.92(10) . 2_755 ?
O1 Ce1 C4 24.56(9) 2_755 2_755 ?
O1 Ce1 C6 166.52(10) . 1_645 ?
O1 Ce1 C6 112.14(9) 2_755 1_645 ?
O1 Ce1 C7 88.53(10) . 2_656 ?
O2 Ce1 O1 159.97(9) 2_656 2_755 ?
O2 Ce1 C4 166.12(10) 2_656 2_755 ?
O2 Ce1 C6 77.98(10) 2_656 1_645 ?
O2 Ce1 C7 25.73(12) 2_656 2_656 ?
O3 Ce1 O1 117.90(9) 1_645 2_755 ?
O3 Ce1 O2 78.97(9) 1_645 2_656 ?
O3 Ce1 O6 50.90(9) 1_645 1_645 ?
O3 Ce1 C4 93.34(10) 1_645 2_755 ?
O3 Ce1 C6 25.75(10) 1_645 1_645 ?
O3 Ce1 C7 71.58(11) 1_645 2_656 ?
O4 Ce1 O1 75.19(10) 2_655 . ?
O4 Ce1 O1 70.87(9) 2_655 2_755 ?
O4 Ce1 O2 90.70(10) 2_655 2_656 ?
O4 Ce1 O3 125.89(9) 2_655 1_645 ?
O4 Ce1 O5 133.19(9) 2_655 1_655 ?
O4 Ce1 O6 75.24(9) 2_655 1_645 ?
O4 Ce1 O7 90.75(11) 2_655 2_755 ?
O4 Ce1 O8 136.28(11) 2_655 2_656 ?
O4 Ce1 C4 84.45(11) 2_655 2_755 ?
O4 Ce1 C6 100.16(11) 2_655 1_645 ?
O4 Ce1 C7 115.25(12) 2_655 2_656 ?
O5 Ce1 O1 67.87(9) 1_655 2_755 ?
O5 Ce1 O2 124.91(10) 1_655 2_656 ?
O5 Ce1 O3 93.07(9) 1_655 1_645 ?
O5 Ce1 O6 139.16(9) 1_655 1_645 ?
O5 Ce1 O7 77.42(10) 1_655 2_755 ?
O5 Ce1 O8 73.65(10) 1_655 2_656 ?
O5 Ce1 C4 66.55(10) 1_655 2_755 ?
O5 Ce1 C6 115.04(11) 1_655 1_645 ?
O5 Ce1 C7 99.95(11) 1_655 2_656 ?
O6 Ce1 O1 108.85(9) 1_645 2_755 ?
O6 Ce1 O2 72.38(9) 1_645 2_656 ?
O6 Ce1 C4 93.79(10) 1_645 2_755 ?
O6 Ce1 C6 25.71(11) 1_645 1_645 ?
O6 Ce1 C7 87.12(10) 1_645 2_656 ?
O7 Ce1 O1 47.64(8) 2_755 2_755 ?
O7 Ce1 O2 143.83(9) 2_755 2_656 ?
O7 Ce1 O3 71.08(10) 2_755 1_645 ?
O7 Ce1 O6 73.11(9) 2_755 1_645 ?
O7 Ce1 O8 132.39(12) 2_755 2_656 ?
O7 Ce1 C4 23.93(9) 2_755 2_755 ?
O7 Ce1 C6 66.20(10) 2_755 1_645 ?
O7 Ce1 C7 142.34(11) 2_755 2_656 ?
O8 Ce1 O1 140.07(9) 2_656 2_755 ?
O8 Ce1 O2 51.66(10) 2_656 2_656 ?
O8 Ce1 O3 73.60(10) 2_656 1_645 ?
O8 Ce1 O6 107.00(9) 2_656 1_645 ?
O8 Ce1 C4 137.32(12) 2_656 2_755 ?
O8 Ce1 C6 93.23(10) 2_656 1_645 ?
O8 Ce1 C7 26.30(12) 2_656 2_656 ?
C6 Ce1 C4 90.05(10) 1_645 2_755 ?
C7 Ce1 O1 164.03(10) 2_656 2_755 ?
C7 Ce1 C4 159.71(13) 2_656 2_755 ?
C7 Ce1 C6 82.01(10) 2_656 1_645 ?
Ce1 O1 Ce1 101.34(9) . 2_755 ?
C4 O1 Ce1 83.3(2) . 2_755 ?
C4 O1 Ce1 160.7(3) . . ?
C7 O2 Ce1 90.6(2) . 2_656 ?
C6 O3 Ce1 92.5(2) . 1_465 ?
C11 O4 Ce1 136.7(3) . 2_655 ?
C11 O5 Ce1 133.5(3) . 1_455 ?
C6 O6 Ce1 92.3(2) . 1_465 ?
C4 O7 Ce1 102.6(2) . 2_755 ?
C7 O8 Ce1 92.9(3) . 2_656 ?
C13 C1 C11 121.2(3) . . ?
C21 C1 C11 120.8(4) . . ?
C21 C1 C13 118.0(4) . . ?
C9 C2 C4 122.2(3) . . ?
C25 C2 C4 118.7(3) . . ?
C25 C2 C9 119.0(4) . . ?
C14 C3 C6 120.3(4) . . ?
C14 C3 C20 119.0(4) . . ?
C20 C3 C6 120.6(4) . . ?
O1 C4 Ce1 72.1(2) . 2_755 ?
O1 C4 C2 120.4(3) . . ?
O7 C4 Ce1 53.46(18) . 2_755 ?
O7 C4 O1 122.2(4) . . ?
O7 C4 C2 117.5(3) . . ?
C2 C4 Ce1 157.6(3) . 2_755 ?
C19 C5 C18 123.0(3) . . ?
C19 C5 C26 118.0(3) . . ?
C26 C5 C18 118.7(3) . . ?
O3 C6 Ce1 61.8(2) . 1_465 ?
O3 C6 C3 119.4(4) . . ?
O6 C6 Ce1 62.02(19) . 1_465 ?
O6 C6 O3 121.7(4) . . ?
O6 C6 C3 118.9(3) . . ?
C3 C6 Ce1 163.1(2) . 1_465 ?
O2 C7 Ce1 63.6(2) . 2_656 ?
O2 C7 O8 123.0(4) . . ?
O2 C7 C10 119.7(4) . . ?
O8 C7 Ce1 60.8(2) . 2_656 ?
O8 C7 C10 117.3(4) . . ?
C10 C7 Ce1 165.5(3) . 2_656 ?
C15 C8 C18 121.5(3) . . ?
C15 C8 C27 118.5(4) . . ?
C27 C8 C18 119.5(4) . . ?
C2 C9 C24 120.2(4) . . ?
C17 C10 C7 119.8(4) . . ?
C17 C10 C28 119.5(4) . . ?
C28 C10 C7 120.7(4) . . ?
O4 C11 C1 117.1(3) . . ?
O5 C11 O4 124.8(4) . . ?
O5 C11 C1 118.2(3) . . ?
C23 C12 C18 121.8(3) . . ?
C23 C12 C29 116.9(4) . . ?
C29 C12 C18 120.8(3) . . ?
C23 C13 C1 121.0(4) . . ?
C3 C14 C26 120.3(4) . . ?
C8 C15 C28 121.0(4) . . ?
C22 C16 C18 120.6(3) . . ?
C24 C16 C18 121.5(3) . . ?
C24 C16 C22 117.4(4) . . ?
C10 C17 C27 120.6(4) . . ?
C8 C18 C5 101.9(3) . . ?
C12 C18 C5 112.6(3) . . ?
C12 C18 C8 113.1(3) . . ?
C16 C18 C5 112.2(3) . . ?
C16 C18 C8 114.7(3) . . ?
C16 C18 C12 102.8(3) . . ?
C20 C19 C5 120.9(4) . . ?
C19 C20 C3 121.0(4) . . ?
C29 C21 C1 120.6(4) . . ?
C25 C22 C16 121.1(4) . . ?
C13 C23 C12 121.2(4) . . ?
C16 C24 C9 121.4(3) . . ?
C2 C25 C22 120.8(4) . . ?
C5 C26 C14 120.6(4) . . ?
C8 C27 C17 120.2(4) . . ?
C10 C28 C15 120.3(4) . . ?
C21 C29 C12 122.2(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
