# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_cxy3235_0m
_database_code_depnum_ccdc_archive 'CCDC 2243518'
loop_
_audit_author_name
_audit_author_address
'Xiaoyong Chang'
;SUSTech
China
;
_audit_update_record             
;
2023-08-07 deposited with the CCDC.	2023-08-16 downloaded from the CCDC.
;
_audit_creation_date             2021-04-02
_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         'C36 H26 Cl2 O6'
_chemical_formula_sum            'C36 H26 Cl2 O6'
_chemical_formula_weight         625.47
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   7.2696(4)
_cell_length_b                   19.8223(11)
_cell_length_c                   20.3510(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2932.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.37
_cell_measurement_theta_min      3.11
_shelx_estimated_absorpt_T_max   0.621
_shelx_estimated_absorpt_T_min   0.488
_exptl_absorpt_coefficient_mu    2.395
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6014
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1055 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.7986.
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    1.417
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26930
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.384
_diffrn_reflns_theta_min         3.112
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.752
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                5280
_reflns_number_total             5386
_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       'APEX 3 (Bruker 2021)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.225
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details 
;
 Flack x determined using 2227 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.001(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         5386
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0281
_refine_ls_restrained_S_all      1.029
_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)+(0.0380P)²+0.9302P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0732
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C28(H28A,H28B), C29(H29A,H29B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4A), C5(H5A), C14(H14), C26(H26), C31(H31), C32(H32), C33(H33), C34(H34),
 C35(H35), C36(H36)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C23(H23A,H23B,H23C)
2.d Idealised tetrahedral OH refined as rotating group:
 O4(H4), O5(H5)
;
_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
Cl1 Cl 0.20150(9) 0.74675(3) 0.35594(3) 0.02858(15) Uani 1 1 d . . . . .
Cl2 Cl 0.91574(9) 0.47032(3) 0.11185(3) 0.03418(17) Uani 1 1 d . . . . .
O1 O 1.0787(2) 0.60013(9) 0.13464(8) 0.0269(4) Uani 1 1 d . . . . .
O2 O 0.2041(3) 0.82837(8) 0.55539(8) 0.0274(4) Uani 1 1 d . . . . .
O3 O 0.3096(3) 0.84578(8) 0.45369(8) 0.0259(4) Uani 1 1 d . . . . .
O4 O 0.1748(3) 0.59907(8) 0.36653(8) 0.0256(4) Uani 1 1 d . . . . .
H4 H 0.157696 0.627302 0.336365 0.038 Uiso 1 1 calc R U . . .
O5 O 0.5524(2) 0.42200(9) 0.15277(9) 0.0316(4) Uani 1 1 d . . . . .
H5 H 0.628569 0.410773 0.123719 0.047 Uiso 1 1 calc R U . . .
O6 O 1.0851(2) 0.63570(8) 0.23875(8) 0.0252(4) Uani 1 1 d . . . . .
C1 C 1.2532(4) 0.63235(14) 0.12343(12) 0.0311(6) Uani 1 1 d . . . . .
H1A H 1.236720 0.681412 0.123149 0.047 Uiso 1 1 calc R U . . .
H1B H 1.302895 0.617729 0.080990 0.047 Uiso 1 1 calc R U . . .
H1C H 1.339004 0.619840 0.158534 0.047 Uiso 1 1 calc R U . . .
C2 C 1.0124(3) 0.60362(11) 0.19556(11) 0.0207(5) Uani 1 1 d . . . . .
C3 C 0.8337(4) 0.56776(12) 0.20389(11) 0.0213(5) Uani 1 1 d . . . . .
C4 C 0.7147(4) 0.59458(12) 0.25120(11) 0.0233(5) Uani 1 1 d . . . . .
H4A H 0.750765 0.633330 0.275449 0.028 Uiso 1 1 calc R U . . .
C5 C 0.5458(4) 0.56547(12) 0.26305(11) 0.0240(5) Uani 1 1 d . . . . .
H5A H 0.465524 0.585204 0.294470 0.029 Uiso 1 1 calc R U . . .
C6 C 0.4909(3) 0.50735(12) 0.22953(11) 0.0227(5) Uani 1 1 d . . . . .
C7 C 0.3198(4) 0.47586(12) 0.24384(11) 0.0241(5) Uani 1 1 d . . . . .
C8 C 0.1795(4) 0.44849(12) 0.26133(11) 0.0234(5) Uani 1 1 d . . . . .
C9 C 0.0283(3) 0.41141(12) 0.28712(11) 0.0213(5) Uani 1 1 d . . . . .
C10 C 0.0120(3) 0.34200(12) 0.27290(11) 0.0214(5) Uani 1 1 d . . . . .
C11 C 0.1701(3) 0.30277(13) 0.24314(12) 0.0257(5) Uani 1 1 d . . . . .
H11A H 0.219248 0.328055 0.205039 0.031 Uiso 1 1 calc R U . . .
H11B H 0.123837 0.258849 0.226907 0.031 Uiso 1 1 calc R U . . .
C12 C 0.3315(4) 0.28986(14) 0.29421(12) 0.0295(6) Uani 1 1 d . . . . .
H12A H 0.373318 0.242507 0.290233 0.035 Uiso 1 1 calc R U . . .
H12B H 0.436673 0.319464 0.283151 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2736(3) 0.30309(12) 0.36464(12) 0.0247(5) Uani 1 1 d . . . . .
C14 C 0.2993(3) 0.36703(12) 0.39142(11) 0.0221(5) Uani 1 1 d . . . . .
H14 H 0.394541 0.395065 0.374770 0.027 Uiso 1 1 calc R U . . .
C15 C 0.1874(3) 0.39080(11) 0.44249(11) 0.0197(5) Uani 1 1 d . . . . .
C16 C 0.2010(3) 0.46068(11) 0.46082(10) 0.0194(5) Uani 1 1 d . . . . .
C17 C 0.2120(3) 0.51968(12) 0.47309(11) 0.0209(5) Uani 1 1 d . . . . .
C18 C 0.2232(3) 0.59178(11) 0.48026(11) 0.0189(5) Uani 1 1 d . . . . .
C19 C 0.2058(3) 0.63181(11) 0.42359(11) 0.0193(5) Uani 1 1 d . . . . .
C20 C 0.2207(3) 0.70162(12) 0.42854(10) 0.0194(5) Uani 1 1 d . . . . .
C21 C 0.2449(3) 0.73272(11) 0.48953(11) 0.0187(5) Uani 1 1 d . . . . .
C22 C 0.2577(3) 0.80771(12) 0.49568(11) 0.0192(5) Uani 1 1 d . . . . .
C23 C 0.2113(4) 0.90051(12) 0.56448(12) 0.0280(5) Uani 1 1 d . . . . .
H23A H 0.339047 0.915867 0.561141 0.042 Uiso 1 1 calc R U . . .
H23B H 0.162478 0.912015 0.607954 0.042 Uiso 1 1 calc R U . . .
H23C H 0.137114 0.922639 0.530530 0.042 Uiso 1 1 calc R U . . .
C24 C 0.7781(3) 0.51005(12) 0.16964(11) 0.0231(5) Uani 1 1 d . . . . .
C25 C 0.6100(3) 0.47882(12) 0.18248(11) 0.0235(5) Uani 1 1 d . . . . .
C26 C -0.0782(3) 0.43981(11) 0.33762(11) 0.0211(5) Uani 1 1 d . . . . .
H26 H -0.068439 0.486698 0.346656 0.025 Uiso 1 1 calc R U . . .
C27 C -0.1977(3) 0.40036(12) 0.37459(11) 0.0216(5) Uani 1 1 d . . . . .
C28 C -0.2443(3) 0.41974(13) 0.44474(11) 0.0249(5) Uani 1 1 d . . . . .
H28A H -0.376208 0.410471 0.452829 0.030 Uiso 1 1 calc R U . . .
H28B H -0.224206 0.468786 0.450446 0.030 Uiso 1 1 calc R U . . .
C29 C -0.1253(4) 0.38028(13) 0.49713(12) 0.0254(5) Uani 1 1 d . . . . .
H29A H -0.089121 0.411630 0.532717 0.031 Uiso 1 1 calc R U . . .
H29B H -0.201008 0.344020 0.516831 0.031 Uiso 1 1 calc R U . . .
C30 C 0.0455(4) 0.34966(12) 0.46721(11) 0.0220(5) Uani 1 1 d . . . . .
C31 C 0.0503(4) 0.28145(12) 0.44990(12) 0.0252(5) Uani 1 1 d . . . . .
H31 H -0.024502 0.250244 0.473150 0.030 Uiso 1 1 calc R U . . .
C32 C 0.1619(4) 0.25848(12) 0.39958(12) 0.0264(5) Uani 1 1 d . . . . .
H32 H 0.162432 0.211871 0.388711 0.032 Uiso 1 1 calc R U . . .
C33 C -0.2384(3) 0.33584(12) 0.35102(11) 0.0225(5) Uani 1 1 d . . . . .
H33 H -0.337218 0.311063 0.369773 0.027 Uiso 1 1 calc R U . . .
C34 C -0.1360(3) 0.30767(12) 0.30049(11) 0.0224(5) Uani 1 1 d . . . . .
H34 H -0.167396 0.264164 0.284448 0.027 Uiso 1 1 calc R U . . .
C35 C 0.2482(3) 0.62323(12) 0.54114(11) 0.0197(5) Uani 1 1 d . . . . .
H35 H 0.258614 0.596573 0.579747 0.024 Uiso 1 1 calc R U . . .
C36 C 0.2578(3) 0.69243(12) 0.54566(11) 0.0204(5) Uani 1 1 d . . . . .
H36 H 0.273419 0.713033 0.587434 0.024 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 C20 1.733(2) . ?
Cl2 C24 1.733(2) . ?
O1 C1 1.439(3) . ?
O1 C2 1.332(3) . ?
O2 C22 1.340(3) . ?
O2 C23 1.443(3) . ?
O3 C22 1.201(3) . ?
O4 H4 0.8400 . ?
O4 C19 1.349(3) . ?
O5 H5 0.8400 . ?
O5 C25 1.345(3) . ?
O6 C2 1.207(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.491(4) . ?
C3 C4 1.399(3) . ?
C3 C24 1.399(3) . ?
C4 H4A 0.9500 . ?
C4 C5 1.378(4) . ?
C5 H5A 0.9500 . ?
C5 C6 1.397(3) . ?
C6 C7 1.422(4) . ?
C6 C25 1.409(3) . ?
C7 C8 1.209(4) . ?
C8 C9 1.423(4) . ?
C9 C10 1.411(3) . ?
C9 C26 1.405(3) . ?
C10 C11 1.514(3) . ?
C10 C34 1.391(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.588(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.517(3) . ?
C13 C14 1.392(3) . ?
C13 C32 1.396(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.402(3) . ?
C15 C16 1.438(3) . ?
C15 C30 1.408(3) . ?
C16 C17 1.199(3) . ?
C17 C18 1.439(3) . ?
C18 C19 1.406(3) . ?
C18 C35 1.399(3) . ?
C19 C20 1.392(3) . ?
C20 C21 1.397(3) . ?
C21 C22 1.495(3) . ?
C21 C36 1.397(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.395(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(3) . ?
C27 C28 1.517(3) . ?
C27 C33 1.398(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.580(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.511(4) . ?
C30 C31 1.398(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(4) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.387(3) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C35 C36 1.377(3) . ?
C36 H36 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
C2 O1 C1 116.33(19) . . ?
C22 O2 C23 114.11(18) . . ?
C19 O4 H4 109.5 . . ?
C25 O5 H5 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 113.4(2) . . ?
O6 C2 O1 123.1(2) . . ?
O6 C2 C3 123.4(2) . . ?
C4 C3 C2 115.8(2) . . ?
C24 C3 C2 125.8(2) . . ?
C24 C3 C4 118.4(2) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4A 119.6 . . ?
C4 C5 H5A 119.5 . . ?
C4 C5 C6 121.0(2) . . ?
C6 C5 H5A 119.5 . . ?
C5 C6 C7 120.8(2) . . ?
C5 C6 C25 119.2(2) . . ?
C25 C6 C7 120.0(2) . . ?
C8 C7 C6 174.5(2) . . ?
C7 C8 C9 172.9(3) . . ?
C10 C9 C8 119.5(2) . . ?
C26 C9 C8 119.3(2) . . ?
C26 C9 C10 119.6(2) . . ?
C9 C10 C11 121.3(2) . . ?
C34 C10 C9 117.3(2) . . ?
C34 C10 C11 119.8(2) . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C10 C11 C12 112.44(19) . . ?
H11A C11 H11B 107.8 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 C11 112.7(2) . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C14 C13 C12 119.4(2) . . ?
C14 C13 C32 117.1(2) . . ?
C32 C13 C12 122.2(2) . . ?
C13 C14 H14 119.4 . . ?
C13 C14 C15 121.2(2) . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C16 118.5(2) . . ?
C14 C15 C30 119.7(2) . . ?
C30 C15 C16 121.0(2) . . ?
C17 C16 C15 177.0(2) . . ?
C16 C17 C18 173.8(2) . . ?
C19 C18 C17 118.2(2) . . ?
C35 C18 C17 122.7(2) . . ?
C35 C18 C19 119.1(2) . . ?
O4 C19 C18 116.7(2) . . ?
O4 C19 C20 123.6(2) . . ?
C20 C19 C18 119.7(2) . . ?
C19 C20 Cl1 116.44(17) . . ?
C19 C20 C21 120.9(2) . . ?
C21 C20 Cl1 122.68(18) . . ?
C20 C21 C22 121.4(2) . . ?
C20 C21 C36 118.9(2) . . ?
C36 C21 C22 119.7(2) . . ?
O2 C22 C21 111.19(19) . . ?
O3 C22 O2 123.0(2) . . ?
O3 C22 C21 125.8(2) . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C3 C24 Cl2 122.89(19) . . ?
C25 C24 Cl2 115.55(17) . . ?
C25 C24 C3 121.5(2) . . ?
O5 C25 C6 116.8(2) . . ?
O5 C25 C24 124.0(2) . . ?
C24 C25 C6 119.2(2) . . ?
C9 C26 H26 119.5 . . ?
C27 C26 C9 121.0(2) . . ?
C27 C26 H26 119.5 . . ?
C26 C27 C28 120.4(2) . . ?
C26 C27 C33 117.5(2) . . ?
C33 C27 C28 120.5(2) . . ?
C27 C28 H28A 109.0 . . ?
C27 C28 H28B 109.0 . . ?
C27 C28 C29 112.8(2) . . ?
H28A C28 H28B 107.8 . . ?
C29 C28 H28A 109.0 . . ?
C29 C28 H28B 109.0 . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C30 C29 C28 112.16(19) . . ?
C30 C29 H29A 109.2 . . ?
C30 C29 H29B 109.2 . . ?
C15 C30 C29 120.9(2) . . ?
C31 C30 C15 116.9(2) . . ?
C31 C30 C29 120.7(2) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 C30 121.3(2) . . ?
C32 C31 H31 119.3 . . ?
C13 C32 H32 119.7 . . ?
C31 C32 C13 120.7(2) . . ?
C31 C32 H32 119.7 . . ?
C27 C33 H33 119.7 . . ?
C34 C33 C27 120.6(2) . . ?
C34 C33 H33 119.7 . . ?
C10 C34 H34 119.4 . . ?
C33 C34 C10 121.2(2) . . ?
C33 C34 H34 119.4 . . ?
C18 C35 H35 119.7 . . ?
C36 C35 C18 120.7(2) . . ?
C36 C35 H35 119.7 . . ?
C21 C36 H36 119.6 . . ?
C35 C36 C21 120.8(2) . . ?
C35 C36 H36 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
Cl1 C20 C21 C22 -0.7(3) . . . . ?
Cl1 C20 C21 C36 179.56(18) . . . . ?
Cl2 C24 C25 O5 -0.5(3) . . . . ?
Cl2 C24 C25 C6 179.11(18) . . . . ?
O1 C2 C3 C4 -149.4(2) . . . . ?
O1 C2 C3 C24 31.7(3) . . . . ?
O4 C19 C20 Cl1 -1.2(3) . . . . ?
O4 C19 C20 C21 177.1(2) . . . . ?
O6 C2 C3 C4 26.9(3) . . . . ?
O6 C2 C3 C24 -152.0(2) . . . . ?
C1 O1 C2 O6 5.2(3) . . . . ?
C1 O1 C2 C3 -178.6(2) . . . . ?
C2 C3 C4 C5 -180.0(2) . . . . ?
C2 C3 C24 Cl2 1.1(3) . . . . ?
C2 C3 C24 C25 177.9(2) . . . . ?
C3 C4 C5 C6 1.8(4) . . . . ?
C3 C24 C25 O5 -177.6(2) . . . . ?
C3 C24 C25 C6 2.1(3) . . . . ?
C4 C3 C24 Cl2 -177.80(18) . . . . ?
C4 C3 C24 C25 -1.0(3) . . . . ?
C4 C5 C6 C7 177.4(2) . . . . ?
C4 C5 C6 C25 -0.7(4) . . . . ?
C5 C6 C25 O5 178.5(2) . . . . ?
C5 C6 C25 C24 -1.2(3) . . . . ?
C7 C6 C25 O5 0.4(3) . . . . ?
C7 C6 C25 C24 -179.3(2) . . . . ?
C8 C9 C10 C11 13.0(3) . . . . ?
C8 C9 C10 C34 178.6(2) . . . . ?
C8 C9 C26 C27 -164.7(2) . . . . ?
C9 C10 C11 C12 72.5(3) . . . . ?
C9 C10 C34 C33 -14.1(3) . . . . ?
C9 C26 C27 C28 152.0(2) . . . . ?
C9 C26 C27 C33 -13.7(3) . . . . ?
C10 C9 C26 C27 1.0(3) . . . . ?
C10 C11 C12 C13 14.7(3) . . . . ?
C11 C10 C34 C33 151.7(2) . . . . ?
C11 C12 C13 C14 -91.4(3) . . . . ?
C11 C12 C13 C32 75.1(3) . . . . ?
C12 C13 C14 C15 153.3(2) . . . . ?
C12 C13 C32 C31 -152.8(2) . . . . ?
C13 C14 C15 C16 -170.1(2) . . . . ?
C13 C14 C15 C30 -0.3(3) . . . . ?
C14 C13 C32 C31 14.0(3) . . . . ?
C14 C15 C30 C29 -151.8(2) . . . . ?
C14 C15 C30 C31 14.3(3) . . . . ?
C15 C30 C31 C32 -14.4(3) . . . . ?
C16 C15 C30 C29 17.8(3) . . . . ?
C16 C15 C30 C31 -176.1(2) . . . . ?
C17 C18 C19 O4 1.7(3) . . . . ?
C17 C18 C19 C20 -178.4(2) . . . . ?
C17 C18 C35 C36 -179.9(2) . . . . ?
C18 C19 C20 Cl1 178.91(17) . . . . ?
C18 C19 C20 C21 -2.8(4) . . . . ?
C18 C35 C36 C21 -0.7(4) . . . . ?
C19 C18 C35 C36 -0.7(3) . . . . ?
C19 C20 C21 C22 -178.9(2) . . . . ?
C19 C20 C21 C36 1.3(3) . . . . ?
C20 C21 C22 O2 154.0(2) . . . . ?
C20 C21 C22 O3 -26.3(4) . . . . ?
C20 C21 C36 C35 0.4(3) . . . . ?
C22 C21 C36 C35 -179.3(2) . . . . ?
C23 O2 C22 O3 0.9(3) . . . . ?
C23 O2 C22 C21 -179.4(2) . . . . ?
C24 C3 C4 C5 -1.0(3) . . . . ?
C26 C9 C10 C11 -152.7(2) . . . . ?
C26 C9 C10 C34 12.9(3) . . . . ?
C26 C27 C28 C29 -97.6(3) . . . . ?
C26 C27 C33 C34 12.6(3) . . . . ?
C27 C28 C29 C30 18.2(3) . . . . ?
C27 C33 C34 C10 1.4(3) . . . . ?
C28 C27 C33 C34 -153.1(2) . . . . ?
C28 C29 C30 C15 66.2(3) . . . . ?
C28 C29 C30 C31 -99.4(3) . . . . ?
C29 C30 C31 C32 151.8(2) . . . . ?
C30 C31 C32 C13 0.1(4) . . . . ?
C32 C13 C14 C15 -13.9(3) . . . . ?
C33 C27 C28 C29 67.7(3) . . . . ?
C34 C10 C11 C12 -92.7(3) . . . . ?
C35 C18 C19 O4 -177.5(2) . . . . ?
C35 C18 C19 C20 2.4(3) . . . . ?
C36 C21 C22 O2 -26.2(3) . . . . ?
C36 C21 C22 O3 153.4(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
