# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_2_pl
_database_code_depnum_ccdc_archive 'CCDC 2211598'
loop_
_audit_author_name
_audit_author_address
'Fang Changzhen'
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2022-10-07 deposited with the CCDC.	2023-11-27 downloaded from the CCDC.
;
_audit_creation_date             2022-10-07
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C15 H11 Cl3)'
_chemical_formula_sum            'C30 H22 Cl6'
_chemical_formula_weight         595.17
_chemical_absolute_configuration ?
_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'
Cl Cl 0.1484 0.1585 '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           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   9.8828(9)
_cell_length_b                   19.0577(19)
_cell_length_c                   15.3279(12)
_cell_angle_alpha                90
_cell_angle_beta                 108.793(3)
_cell_angle_gamma                90
_cell_volume                     2733.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.95
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.938
_shelx_estimated_absorpt_T_min   0.909
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6043
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1303 before and 0.0762 after correction.
The Ratio of minimum to maximum transmission is 0.8108.
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    1.446
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0590
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28541
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.986
_diffrn_reflns_theta_min         2.137
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.968
_reflns_Friedel_fraction_full    0.969
_reflns_Friedel_fraction_max     0.966
_reflns_number_gt                4959
_reflns_number_total             5277
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         0.334
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.05(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5277
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0411
_refine_ls_restrained_S_all      1.119
_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)+(0.0522P)²+1.9328P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1022
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.95(8)
 0.05(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3.a Ternary CH refined with riding coordinates:
 C13(H13), C27(H27)
3.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C26(H26A,H26B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C7(H7), C8(H8), C10(H10), C11(H11), C14(H14), C15(H15),
 C17(H17), C18(H18), C21(H21), C22(H22), C24(H24), C25(H25), 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
Cl1 Cl 0.78968(15) 0.42217(6) -0.72953(9) 0.0457(3) Uani 1 1 d . . . . .
Cl2 Cl 0.7352(2) -0.09586(7) -0.72623(10) 0.0701(6) Uani 1 1 d . . . . .
Cl3 Cl 0.74981(15) 0.23562(7) -0.36730(9) 0.0458(3) Uani 1 1 d . . . . .
C2 C 0.9425(5) 0.3174(2) -0.6245(3) 0.0280(9) Uani 1 1 d . . . . .
H2 H 1.022489 0.336283 -0.637989 0.034 Uiso 1 1 calc R U . . .
C3 C 0.9576(4) 0.2592(2) -0.5679(3) 0.0261(9) Uani 1 1 d . . . . .
H3 H 1.049416 0.238745 -0.541222 0.031 Uiso 1 1 calc R U . . .
C4 C 0.8410(4) 0.2303(2) -0.5497(3) 0.0232(8) Uani 1 1 d . . . . .
C5 C 0.8595(4) 0.1642(2) -0.4936(3) 0.0261(9) Uani 1 1 d . . . . .
C6 C 0.8294(5) 0.0984(2) -0.5498(3) 0.0272(9) Uani 1 1 d . . . . .
C7 C 0.9395(5) 0.0595(3) -0.5635(3) 0.0375(11) Uani 1 1 d . . . . .
H7 H 1.035666 0.074117 -0.535184 0.045 Uiso 1 1 calc R U . . .
C8 C 0.9114(7) 0.0001(3) -0.6175(4) 0.0466(14) Uani 1 1 d . . . . .
H8 H 0.987432 -0.026447 -0.626124 0.056 Uiso 1 1 calc R U . . .
C9 C 0.7727(7) -0.0203(3) -0.6584(3) 0.0436(13) Uani 1 1 d . . . . .
C10 C 0.6912(5) 0.3200(3) -0.6437(3) 0.0353(11) Uani 1 1 d . . . . .
H10 H 0.599912 0.341037 -0.669671 0.042 Uiso 1 1 calc R U . . .
C11 C 0.7075(5) 0.2610(2) -0.5881(3) 0.0306(9) Uani 1 1 d . . . . .
H11 H 0.626759 0.241474 -0.576227 0.037 Uiso 1 1 calc R U . . .
C12 C 0.9757(5) 0.1626(2) -0.3999(3) 0.0333(10) Uani 1 1 d . . . . .
H12A H 1.031053 0.118684 -0.381339 0.040 Uiso 1 1 calc R U . . .
H12B H 1.030572 0.206233 -0.378047 0.040 Uiso 1 1 calc R U . . .
C13 C 0.8224(5) 0.1618(2) -0.4062(3) 0.0336(10) Uani 1 1 d . . . . .
H13 H 0.786245 0.115415 -0.392483 0.040 Uiso 1 1 calc R U . . .
C14 C 0.6602(6) 0.0170(3) -0.6461(3) 0.0412(12) Uani 1 1 d . . . . .
H14 H 0.564251 0.002226 -0.674491 0.049 Uiso 1 1 calc R U . . .
C15 C 0.6913(5) 0.0764(2) -0.5911(3) 0.0342(10) Uani 1 1 d . . . . .
H15 H 0.615189 0.102522 -0.581844 0.041 Uiso 1 1 calc R U . . .
C30 C 0.8088(5) 0.3475(2) -0.6607(3) 0.0308(10) Uani 1 1 d . . . . .
Cl4 Cl 0.80051(12) 0.40535(7) -1.13212(9) 0.0436(3) Uani 1 1 d . . . . .
Cl5 Cl 0.28384(16) 0.04560(7) -0.91278(14) 0.0620(5) Uani 1 1 d . . . . .
Cl6 Cl 0.98736(12) 0.02872(6) -0.83156(8) 0.0372(3) Uani 1 1 d . . . . .
C1 C 0.8551(4) 0.2241(2) -0.9334(3) 0.0247(8) Uani 1 1 d . . . . .
C16 C 0.8232(4) 0.3350(2) -1.0553(3) 0.0318(10) Uani 1 1 d . . . . .
C17 C 0.8330(5) 0.3490(2) -0.9649(3) 0.0336(10) Uani 1 1 d . . . . .
H17 H 0.828791 0.395828 -0.944592 0.040 Uiso 1 1 calc R U . . .
C18 C 0.8490(5) 0.2931(2) -0.9049(3) 0.0297(9) Uani 1 1 d . . . . .
H18 H 0.856168 0.302013 -0.842626 0.036 Uiso 1 1 calc R U . . .
C19 C 0.8643(5) 0.1644(2) -0.8679(3) 0.0257(9) Uani 1 1 d . . . . .
C20 C 0.7229(4) 0.1317(2) -0.8761(3) 0.0237(8) Uani 1 1 d . . . . .
C21 C 0.6623(5) 0.0823(2) -0.9437(3) 0.0304(10) Uani 1 1 d . . . . .
H21 H 0.713812 0.066984 -0.982853 0.036 Uiso 1 1 calc R U . . .
C22 C 0.5282(5) 0.0551(3) -0.9551(3) 0.0348(10) Uani 1 1 d . . . . .
H22 H 0.487735 0.020808 -1.001143 0.042 Uiso 1 1 calc R U . . .
C23 C 0.4546(5) 0.0784(2) -0.8987(4) 0.0375(11) Uani 1 1 d . . . . .
C24 C 0.8301(4) 0.2677(2) -1.0857(3) 0.0293(9) Uani 1 1 d . . . . .
H24 H 0.823946 0.259191 -1.147972 0.035 Uiso 1 1 calc R U . . .
C25 C 0.8462(4) 0.2124(2) -1.0243(3) 0.0265(9) Uani 1 1 d . . . . .
H25 H 0.851234 0.165775 -1.044942 0.032 Uiso 1 1 calc R U . . .
C26 C 0.9785(5) 0.1675(2) -0.7742(3) 0.0343(10) Uani 1 1 d . . . . .
H26A H 1.039040 0.210022 -0.758910 0.041 Uiso 1 1 calc R U . . .
H26B H 0.956445 0.146043 -0.721486 0.041 Uiso 1 1 calc R U . . .
C27 C 0.9977(5) 0.1194(2) -0.8465(3) 0.0298(9) Uani 1 1 d . . . . .
H27 H 1.069659 0.134839 -0.875840 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5122(6) 0.1266(3) -0.8302(4) 0.0407(12) Uani 1 1 d . . . . .
H28 H 0.460329 0.141575 -0.791103 0.049 Uiso 1 1 calc R U . . .
C29 C 0.6473(5) 0.1530(2) -0.8192(3) 0.0335(10) Uani 1 1 d . . . . .
H29 H 0.688453 0.186248 -0.771866 0.040 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
Cl1 C30 1.745(4) . ?
Cl2 C9 1.745(5) . ?
Cl3 C13 1.768(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(6) . ?
C2 C30 1.382(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(6) . ?
C4 C5 1.503(6) . ?
C4 C11 1.389(6) . ?
C5 C6 1.495(6) . ?
C5 C12 1.524(6) . ?
C5 C13 1.500(6) . ?
C6 C7 1.387(6) . ?
C6 C15 1.372(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.378(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.367(9) . ?
C9 C14 1.383(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(7) . ?
C10 C30 1.375(7) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.487(7) . ?
C13 H13 1.0000 . ?
C14 H14 0.9500 . ?
C14 C15 1.386(7) . ?
C15 H15 0.9500 . ?
Cl4 C16 1.750(4) . ?
Cl5 C23 1.747(5) . ?
Cl6 C27 1.750(4) . ?
C1 C18 1.393(6) . ?
C1 C19 1.501(6) . ?
C1 C25 1.386(6) . ?
C16 C17 1.383(7) . ?
C16 C24 1.374(7) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.498(6) . ?
C19 C26 1.515(6) . ?
C19 C27 1.518(6) . ?
C20 C21 1.383(6) . ?
C20 C29 1.380(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(7) . ?
C22 H22 0.9500 . ?
C22 C23 1.370(7) . ?
C23 C28 1.374(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(6) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.498(7) . ?
C27 H27 1.0000 . ?
C28 H28 0.9500 . ?
C28 C29 1.385(7) . ?
C29 H29 0.9500 . ?

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
C3 C2 H2 120.7 . . ?
C30 C2 H2 120.7 . . ?
C30 C2 C3 118.7(4) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 C11 119.1(4) . . ?
C11 C4 C5 121.3(4) . . ?
C4 C5 C12 118.2(4) . . ?
C6 C5 C4 114.1(3) . . ?
C6 C5 C12 118.4(4) . . ?
C6 C5 C13 115.4(4) . . ?
C13 C5 C4 121.2(4) . . ?
C13 C5 C12 58.9(3) . . ?
C7 C6 C5 121.0(4) . . ?
C15 C6 C5 120.4(4) . . ?
C15 C6 C7 118.6(4) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 120.9(5) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 120.4 . . ?
C9 C8 C7 119.2(5) . . ?
C9 C8 H8 120.4 . . ?
C8 C9 Cl2 119.8(5) . . ?
C8 C9 C14 121.5(5) . . ?
C14 C9 Cl2 118.7(5) . . ?
C11 C10 H10 120.4 . . ?
C30 C10 H10 120.4 . . ?
C30 C10 C11 119.2(4) . . ?
C4 C11 H11 119.7 . . ?
C10 C11 C4 120.5(4) . . ?
C10 C11 H11 119.7 . . ?
C5 C12 H12A 117.8 . . ?
C5 C12 H12B 117.8 . . ?
H12A C12 H12B 114.9 . . ?
C13 C12 C5 59.7(3) . . ?
C13 C12 H12A 117.8 . . ?
C13 C12 H12B 117.8 . . ?
Cl3 C13 H13 114.9 . . ?
C5 C13 Cl3 121.3(3) . . ?
C5 C13 H13 114.9 . . ?
C12 C13 Cl3 119.0(3) . . ?
C12 C13 C5 61.3(3) . . ?
C12 C13 H13 114.9 . . ?
C9 C14 H14 120.9 . . ?
C9 C14 C15 118.2(5) . . ?
C15 C14 H14 120.9 . . ?
C6 C15 C14 121.5(5) . . ?
C6 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C2 C30 Cl1 119.0(4) . . ?
C10 C30 Cl1 119.5(4) . . ?
C10 C30 C2 121.5(4) . . ?
C18 C1 C19 120.4(4) . . ?
C25 C1 C18 118.1(4) . . ?
C25 C1 C19 121.4(4) . . ?
C17 C16 Cl4 118.6(4) . . ?
C24 C16 Cl4 119.7(4) . . ?
C24 C16 C17 121.7(4) . . ?
C16 C17 H17 120.9 . . ?
C18 C17 C16 118.3(4) . . ?
C18 C17 H17 120.9 . . ?
C1 C18 H18 119.1 . . ?
C17 C18 C1 121.8(4) . . ?
C17 C18 H18 119.1 . . ?
C1 C19 C26 118.1(4) . . ?
C1 C19 C27 115.7(4) . . ?
C20 C19 C1 113.9(3) . . ?
C20 C19 C26 119.1(4) . . ?
C20 C19 C27 120.3(4) . . ?
C26 C19 C27 59.2(3) . . ?
C21 C20 C19 120.9(4) . . ?
C29 C20 C19 120.3(4) . . ?
C29 C20 C21 118.8(4) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.1(4) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.7(5) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 Cl5 119.6(4) . . ?
C22 C23 C28 121.7(5) . . ?
C28 C23 Cl5 118.7(4) . . ?
C16 C24 H24 120.5 . . ?
C16 C24 C25 119.1(4) . . ?
C25 C24 H24 120.5 . . ?
C1 C25 C24 121.1(4) . . ?
C1 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C19 C26 H26A 117.7 . . ?
C19 C26 H26B 117.7 . . ?
H26A C26 H26B 114.8 . . ?
C27 C26 C19 60.5(3) . . ?
C27 C26 H26A 117.7 . . ?
C27 C26 H26B 117.7 . . ?
Cl6 C27 H27 115.5 . . ?
C19 C27 Cl6 120.2(3) . . ?
C19 C27 H27 115.5 . . ?
C26 C27 Cl6 118.7(3) . . ?
C26 C27 C19 60.3(3) . . ?
C26 C27 H27 115.5 . . ?
C23 C28 H28 120.6 . . ?
C23 C28 C29 118.9(4) . . ?
C29 C28 H28 120.6 . . ?
C20 C29 C28 120.8(4) . . ?
C20 C29 H29 119.6 . . ?
C28 C29 H29 119.6 . . ?

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
Cl2 C9 C14 C15 179.2(4) . . . . ?
C2 C3 C4 C5 175.7(4) . . . . ?
C2 C3 C4 C11 -0.8(6) . . . . ?
C3 C2 C30 Cl1 178.4(3) . . . . ?
C3 C2 C30 C10 -1.6(7) . . . . ?
C3 C4 C5 C6 -92.9(5) . . . . ?
C3 C4 C5 C12 53.3(5) . . . . ?
C3 C4 C5 C13 122.1(5) . . . . ?
C3 C4 C11 C10 -0.2(6) . . . . ?
C4 C5 C6 C7 98.0(5) . . . . ?
C4 C5 C6 C15 -80.3(5) . . . . ?
C4 C5 C12 C13 111.3(4) . . . . ?
C4 C5 C13 Cl3 2.1(6) . . . . ?
C4 C5 C13 C12 -106.2(4) . . . . ?
C5 C4 C11 C10 -176.6(4) . . . . ?
C5 C6 C7 C8 -178.1(4) . . . . ?
C5 C6 C15 C14 177.8(4) . . . . ?
C5 C12 C13 Cl3 -111.9(4) . . . . ?
C6 C5 C12 C13 -104.0(4) . . . . ?
C6 C5 C13 Cl3 -142.4(3) . . . . ?
C6 C5 C13 C12 109.3(4) . . . . ?
C6 C7 C8 C9 0.4(8) . . . . ?
C7 C6 C15 C14 -0.4(7) . . . . ?
C7 C8 C9 Cl2 -179.5(4) . . . . ?
C7 C8 C9 C14 -0.7(8) . . . . ?
C8 C9 C14 C15 0.4(7) . . . . ?
C9 C14 C15 C6 0.2(7) . . . . ?
C11 C4 C5 C6 83.5(5) . . . . ?
C11 C4 C5 C12 -130.3(4) . . . . ?
C11 C4 C5 C13 -61.4(6) . . . . ?
C11 C10 C30 Cl1 -179.3(3) . . . . ?
C11 C10 C30 C2 0.6(7) . . . . ?
C12 C5 C6 C7 -48.1(6) . . . . ?
C12 C5 C6 C15 133.7(4) . . . . ?
C12 C5 C13 Cl3 108.4(4) . . . . ?
C13 C5 C6 C7 -115.0(5) . . . . ?
C13 C5 C6 C15 66.8(5) . . . . ?
C15 C6 C7 C8 0.1(7) . . . . ?
C30 C2 C3 C4 1.7(6) . . . . ?
C30 C10 C11 C4 0.3(7) . . . . ?
Cl4 C16 C17 C18 179.2(3) . . . . ?
Cl4 C16 C24 C25 -179.2(3) . . . . ?
Cl5 C23 C28 C29 -179.6(4) . . . . ?
C1 C19 C20 C21 81.8(5) . . . . ?
C1 C19 C20 C29 -94.8(5) . . . . ?
C1 C19 C26 C27 -104.8(4) . . . . ?
C1 C19 C27 Cl6 -143.3(3) . . . . ?
C1 C19 C27 C26 108.7(4) . . . . ?
C16 C17 C18 C1 -0.2(7) . . . . ?
C16 C24 C25 C1 0.1(6) . . . . ?
C17 C16 C24 C25 0.5(6) . . . . ?
C18 C1 C19 C20 96.0(5) . . . . ?
C18 C1 C19 C26 -51.1(6) . . . . ?
C18 C1 C19 C27 -118.3(4) . . . . ?
C18 C1 C25 C24 -0.7(6) . . . . ?
C19 C1 C18 C17 -176.6(4) . . . . ?
C19 C1 C25 C24 176.6(4) . . . . ?
C19 C20 C21 C22 -176.1(4) . . . . ?
C19 C20 C29 C28 175.6(4) . . . . ?
C19 C26 C27 Cl6 -110.3(4) . . . . ?
C20 C19 C26 C27 109.9(4) . . . . ?
C20 C19 C27 Cl6 0.1(6) . . . . ?
C20 C19 C27 C26 -107.9(4) . . . . ?
C20 C21 C22 C23 0.8(7) . . . . ?
C21 C20 C29 C28 -1.1(6) . . . . ?
C21 C22 C23 Cl5 179.1(4) . . . . ?
C21 C22 C23 C28 -1.6(7) . . . . ?
C22 C23 C28 C29 1.1(7) . . . . ?
C23 C28 C29 C20 0.3(7) . . . . ?
C24 C16 C17 C18 -0.5(7) . . . . ?
C25 C1 C18 C17 0.8(6) . . . . ?
C25 C1 C19 C20 -81.3(5) . . . . ?
C25 C1 C19 C26 131.7(4) . . . . ?
C25 C1 C19 C27 64.5(5) . . . . ?
C26 C19 C20 C21 -131.5(4) . . . . ?
C26 C19 C20 C29 51.8(5) . . . . ?
C26 C19 C27 Cl6 108.0(4) . . . . ?
C27 C19 C20 C21 -62.2(5) . . . . ?
C27 C19 C20 C29 121.1(5) . . . . ?
C29 C20 C21 C22 0.6(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.95(8)
2 0.05(8)

