# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1952184'
loop_
_audit_author_name
_audit_author_address
'Yukatsu Shichibu'
;Hokkaido University
Japan
;
_audit_update_record             
;
2019-09-08 deposited with the CCDC.	2019-11-11 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H54 Cl6 N4 O10'
_chemical_formula_iupac          ?
_chemical_formula_weight         1275.83

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_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                   10.8204(12)
_cell_length_b                   35.106(4)
_cell_length_c                   8.2849(9)
_cell_angle_alpha                90
_cell_angle_beta                 110.0050(10)
_cell_angle_gamma                90
_cell_volume                     2957.2(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    113
_cell_measurement_theta_min      2.0145
_cell_measurement_theta_max      20.4895
_cell_measurement_temperature    90.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.110
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320

_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_T_max  0.96

_exptl_special_details           
;
;

_diffrn_ambient_temperature      90.(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            14141
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0537
_diffrn_reflns_theta_min         1.16
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9

_refine_special_details          
;
;

_reflns_number_total             5202
_reflns_number_gt                3767
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_gt          0.1352
_refine_ls_wR_factor_ref         0.1565
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.012
_refine_ls_number_reflns         5202
_refine_ls_number_parameters     529
_refine_ls_number_restraints     15
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²+0.4634P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.427
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker SMART APEXII'
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XSHELL V6.3.1 (BruekrAXS)'
_computing_publication_material  'Generate Report (Bruker AXS)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.9491(3) 0.35318(8) 0.6447(3) 0.0260(6) Uani d . . . 1.0 A 5
C C2 0.8203(3) 0.35373(8) 0.6376(3) 0.0270(6) Uani d . . . 1.0 A 5
C C3 0.7302(3) 0.32496(8) 0.5560(4) 0.0305(7) Uani d . . . 1.0 A 5
C C4 0.7681(3) 0.29657(9) 0.4717(4) 0.0330(7) Uani d . . . 1.0 A 5
C C5 0.8960(3) 0.29555(8) 0.4628(3) 0.0295(6) Uani d . . . 1.0 A 5
C C6 0.9343(3) 0.26773(9) 0.3647(4) 0.0348(7) Uani d . . . 1.0 A 5
C C7 1.0573(3) 0.26827(9) 0.3538(4) 0.0362(7) Uani d . . . 1.0 A 5
C C8 1.1498(3) 0.29588(9) 0.4435(4) 0.0337(7) Uani d . . . 1.0 A 5
C C9 1.1155(3) 0.32282(9) 0.5408(3) 0.0295(6) Uani d . . . 1.0 A 5
C C10 0.9885(3) 0.32381(8) 0.5522(3) 0.0264(6) Uani d . . . 1.0 A 5
C C11 0.6697(3) 0.40262(8) 0.6334(3) 0.0268(6) Uani d . . . 1.0 A 5
C C12 0.5311(3) 0.45222(8) 0.6924(3) 0.0271(6) Uani d . . . 1.0 A 5
C C13 0.5377(3) 0.48341(8) 0.7963(4) 0.0321(7) Uani d . . . 1.0 A 5
C C14 0.4337(3) 0.50895(9) 0.7584(4) 0.0312(7) Uani d . . . 1.0 A 5
C C15 0.3229(3) 0.50338(8) 0.6155(3) 0.0268(6) Uani d . . . 1.0 A 5
C C16 0.3158(3) 0.47205(9) 0.5120(4) 0.0324(7) Uani d . . . 1.0 A 5
C C17 0.4197(3) 0.44650(8) 0.5501(4) 0.0317(7) Uani d . . . 1.0 A 5
C C18 0.1318(3) 0.53875(8) 0.4293(3) 0.0272(6) Uani d . . . 1.0 A 5
C C19 -0.0479(3) 0.61840(8) 0.2537(3) 0.0252(6) Uani d . . . 1.0 A 5
C C20 -0.0448(3) 0.58103(8) 0.2988(3) 0.0275(6) Uani d . . . 1.0 A 5
C C21 -0.1449(3) 0.55517(9) 0.2125(4) 0.0329(7) Uani d . . . 1.0 A 5
C C22 -0.2485(3) 0.56695(9) 0.0764(4) 0.0347(7) Uani d . . . 1.0 A 5
C C23 -0.2562(3) 0.60488(8) 0.0169(4) 0.0305(7) Uani d . . . 1.0 A 5
C C24 -0.3611(3) 0.61777(10) -0.1292(4) 0.0372(8) Uani d . . . 1.0 A 5
C C25 -0.3647(3) 0.65401(10) -0.1870(4) 0.0402(8) Uani d . . . 1.0 A 5
C C26 -0.2631(3) 0.67953(10) -0.1031(4) 0.0353(7) Uani d . . . 1.0 A 5
C C27 -0.1613(3) 0.66845(8) 0.0404(3) 0.0300(6) Uani d . . . 1.0 A 5
C C28 -0.1540(3) 0.63096(8) 0.1050(3) 0.0257(6) Uani d . . . 1.0 A 5
N N1 0.6391(2) 0.42681(7) 0.7412(3) 0.0286(5) Uani d . . . 1.0 A 5
N N2 0.2175(2) 0.53008(7) 0.5851(3) 0.0291(5) Uani d . . . 1.0 A 5
O O1 0.78178(17) 0.38267(5) 0.7264(2) 0.0288(5) Uani d . . . 1.0 A 5
O O2 0.61301(19) 0.39815(6) 0.4824(2) 0.0317(5) Uani d . . . 1.0 A 5
O O3 0.1191(2) 0.52406(6) 0.2935(2) 0.0339(5) Uani d . . . 1.0 A 5
O O4 0.05622(18) 0.56916(5) 0.4476(2) 0.0291(5) Uani d . . . 1.0 A 5
H H1 0.643(3) 0.3258(8) 0.562(4) 0.034(8) Uiso d . . . 1.0 B 5
H H2 0.712(3) 0.2750(9) 0.427(4) 0.039(8) Uiso d . . . 1.0 C 5
H H3 0.873(3) 0.2509(9) 0.303(4) 0.036(9) Uiso d . . . 1.0 D 5
H H4 1.078(3) 0.2485(9) 0.286(4) 0.032(8) Uiso d . . . 1.0 E 5
H H5 1.243(3) 0.2968(8) 0.436(4) 0.032(8) Uiso d . . . 1.0 F 5
H H6 1.180(3) 0.3403(9) 0.605(4) 0.039(9) Uiso d . . . 1.0 G 5
H H7 0.694(3) 0.4277(8) 0.852(4) 0.033(8) Uiso d . . . 1.0 H 5
H H8 0.613(3) 0.4879(9) 0.900(4) 0.040(8) Uiso d . . . 1.0 I 5
H H9 0.442(3) 0.5309(10) 0.827(4) 0.048(10) Uiso d . . . 1.0 J 5
H H10 0.244(3) 0.4687(9) 0.416(4) 0.040(9) Uiso d . . . 1.0 K 5
H H11 0.407(3) 0.4244(9) 0.476(4) 0.040(8) Uiso d . . . 1.0 L 5
H H12 0.221(3) 0.5447(8) 0.677(4) 0.027(7) Uiso d . . . 1.0 M 5
H H13 -0.142(3) 0.5301(9) 0.248(4) 0.031(8) Uiso d . . . 1.0 N 5
H H14 -0.313(3) 0.5495(9) 0.017(4) 0.030(8) Uiso d . . . 1.0 O 5
H H15 -0.423(4) 0.6007(10) -0.181(4) 0.047(10) Uiso d . . . 1.0 P 5
H H16 -0.433(3) 0.6645(9) -0.283(4) 0.040(9) Uiso d . . . 1.0 Q 5
H H17 -0.259(3) 0.7072(9) -0.134(4) 0.033(8) Uiso d . . . 1.0 R 5
H H18 -0.091(3) 0.6882(8) 0.106(4) 0.033(8) Uiso d . . . 1.0 S 5
O O1A 0.1940(2) 0.57077(6) 0.8850(3) 0.0369(5) Uani d . . . 1.0 T 5
C C1A 0.2070(4) 0.61077(10) 0.8509(5) 0.0445(8) Uani d . . . 1.0 T 5
C C2A 0.0817(4) 0.62961(10) 0.8525(4) 0.0453(9) Uani d . . . 1.0 T 5
C C3A -0.0191(3) 0.59877(11) 0.7845(4) 0.0456(9) Uani d . . . 1.0 T 5
C C4A 0.0557(3) 0.56341(11) 0.8684(5) 0.0460(8) Uani d . . . 1.0 T 5
H H1A 0.219(2) 0.6146(7) 0.738(3) 0.009(6) Uiso d . . . 1.0 U 5
H H2A 0.286(4) 0.6208(11) 0.954(5) 0.072(12) Uiso d . . . 1.0 V 5
H H3A 0.059(3) 0.6554(9) 0.781(4) 0.044(9) Uiso d . . . 1.0 W 5
H H4A 0.090(4) 0.6365(10) 0.966(5) 0.054(10) Uiso d . . . 1.0 X 5
H H5A -0.049(3) 0.5986(9) 0.645(4) 0.045(9) Uiso d . . . 1.0 Y 5
H H6A -0.104(4) 0.6046(10) 0.814(5) 0.062(11) Uiso d . . . 1.0 Z 5
H H7A 0.027(3) 0.5408(10) 0.802(5) 0.049(10) Uiso d . . . 1.0 A 5
H H8A 0.043(3) 0.5601(9) 0.981(5) 0.049(10) Uiso d . . . 1.0 B 5
C C1B 0.4931(14) 0.3034(5) 0.871(2) 0.081(5) Uani d . P D 0.670(10) C 1
H H1B 0.4266 0.2995 0.9284 0.097 Uiso calc U P R 0.670(10) C 1
Cl Cl1B 0.4650(3) 0.34907(7) 0.7540(3) 0.0313(6) Uani d . P D 0.670(10) C 1
Cl Cl2B 0.6482(8) 0.30218(10) 1.0165(7) 0.144(2) Uani d . P D 0.670(10) C 1
Cl Cl3B 0.4766(3) 0.26820(8) 0.7115(4) 0.0588(10) Uani d . P D 0.670(10) C 1
C C1C 0.4697(18) 0.3077(6) 0.854(3) 0.019(3) Uani d . P D 0.330(10) C 2
H H1C 0.3999 0.3121 0.9059 0.022 Uiso calc U P R 0.330(10) C 2
Cl Cl1C 0.4561(10) 0.3443(3) 0.7431(14) 0.117(4) Uani d . P D 0.330(10) C 2
Cl Cl2C 0.6060(5) 0.30258(18) 1.0346(6) 0.0464(14) Uani d . P D 0.330(10) C 2
Cl Cl3C 0.4374(7) 0.26414(17) 0.7853(18) 0.107(3) Uani d . P D 0.330(10) C 2


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.375(4) ?
C1 C10 . 1.434(4) ?
C1 C19 3_666 1.494(4) ?
C2 O1 . 1.399(3) ?
C2 C3 . 1.406(4) ?
C3 C4 . 1.358(4) ?
C3 H1 . 0.96(3) ?
C4 C5 . 1.411(4) ?
C4 H2 . 0.96(3) ?
C5 C6 . 1.420(4) ?
C5 C10 . 1.424(4) ?
C6 C7 . 1.365(5) ?
C6 H3 . 0.91(3) ?
C7 C8 . 1.409(4) ?
C7 H4 . 0.96(3) ?
C8 C9 . 1.373(4) ?
C8 H5 . 1.03(3) ?
C9 C10 . 1.409(4) ?
C9 H6 . 0.95(3) ?
C11 O2 . 1.200(3) ?
C11 N1 . 1.353(4) ?
C11 O1 . 1.384(3) ?
C12 C13 . 1.380(4) ?
C12 C17 . 1.382(4) ?
C12 N1 . 1.415(3) ?
C13 C14 . 1.389(4) ?
C13 H8 . 0.97(3) ?
C14 C15 . 1.381(4) ?
C14 H9 . 0.94(3) ?
C15 C16 . 1.380(4) ?
C15 N2 . 1.430(3) ?
C16 C17 . 1.388(4) ?
C16 H10 . 0.91(3) ?
C17 H11 . 0.97(3) ?
C18 O3 . 1.202(3) ?
C18 N2 . 1.341(4) ?
C18 O4 . 1.384(3) ?
C19 C20 . 1.361(4) ?
C19 C28 . 1.436(4) ?
C19 C1 3_666 1.494(4) ?
C20 O4 . 1.402(3) ?
C20 C21 . 1.406(4) ?
C21 C22 . 1.355(4) ?
C21 H13 . 0.93(3) ?
C22 C23 . 1.412(4) ?
C22 H14 . 0.93(3) ?
C23 C24 . 1.421(4) ?
C23 C28 . 1.429(4) ?
C24 C25 . 1.355(5) ?
C24 H15 . 0.89(4) ?
C25 C26 . 1.404(5) ?
C25 H16 . 0.95(3) ?
C26 C27 . 1.372(4) ?
C26 H17 . 1.01(3) ?
C27 C28 . 1.413(4) ?
C27 H18 . 1.04(3) ?
N1 H7 . 0.91(3) ?
N2 H12 . 0.91(3) ?
O1A C1A . 1.449(4) ?
O1A C4A . 1.477(4) ?
C1A C2A . 1.513(5) ?
C1A H1A . 1.00(3) ?
C1A H2A . 1.04(4) ?
C2A C3A . 1.503(5) ?
C2A H3A . 1.06(3) ?
C2A H4A . 0.95(4) ?
C3A C4A . 1.515(5) ?
C3A H5A . 1.09(3) ?
C3A H6A . 1.05(4) ?
C4A H7A . 0.95(4) ?
C4A H8A . 0.99(4) ?
C1B Cl2B . 1.700(14) ?
C1B Cl3B . 1.772(16) ?
C1B Cl1B . 1.843(17) ?
C1B H1B . 1.0 ?
C1C Cl1C . 1.56(3) ?
C1C Cl3C . 1.63(2) ?
C1C Cl2C . 1.713(17) ?
C1C H1C . 1.0 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C10 . . 118.0(2) ?
C2 C1 C19 . 3_666 122.3(2) ?
C10 C1 C19 . 3_666 119.7(2) ?
C1 C2 O1 . . 117.9(2) ?
C1 C2 C3 . . 122.4(3) ?
O1 C2 C3 . . 119.5(3) ?
C4 C3 C2 . . 119.6(3) ?
C4 C3 H1 . . 121.4(18) ?
C2 C3 H1 . . 119.0(18) ?
C3 C4 C5 . . 121.3(3) ?
C3 C4 H2 . . 121.0(19) ?
C5 C4 H2 . . 117.4(19) ?
C4 C5 C6 . . 122.1(3) ?
C4 C5 C10 . . 118.9(3) ?
C6 C5 C10 . . 119.1(3) ?
C7 C6 C5 . . 120.7(3) ?
C7 C6 H3 . . 121.(2) ?
C5 C6 H3 . . 118.(2) ?
C6 C7 C8 . . 120.5(3) ?
C6 C7 H4 . . 116.9(18) ?
C8 C7 H4 . . 122.5(18) ?
C9 C8 C7 . . 119.8(3) ?
C9 C8 H5 . . 118.5(16) ?
C7 C8 H5 . . 121.6(16) ?
C8 C9 C10 . . 121.4(3) ?
C8 C9 H6 . . 119.(2) ?
C10 C9 H6 . . 119.6(19) ?
C9 C10 C5 . . 118.4(3) ?
C9 C10 C1 . . 121.9(3) ?
C5 C10 C1 . . 119.6(3) ?
O2 C11 N1 . . 128.1(3) ?
O2 C11 O1 . . 123.5(2) ?
N1 C11 O1 . . 108.4(2) ?
C13 C12 C17 . . 119.5(3) ?
C13 C12 N1 . . 117.4(2) ?
C17 C12 N1 . . 123.1(2) ?
C12 C13 C14 . . 120.4(3) ?
C12 C13 H8 . . 121.9(19) ?
C14 C13 H8 . . 117.7(18) ?
C15 C14 C13 . . 120.1(3) ?
C15 C14 H9 . . 120.(2) ?
C13 C14 H9 . . 119.(2) ?
C16 C15 C14 . . 119.5(3) ?
C16 C15 N2 . . 122.8(2) ?
C14 C15 N2 . . 117.7(2) ?
C15 C16 C17 . . 120.4(3) ?
C15 C16 H10 . . 120.(2) ?
C17 C16 H10 . . 120.(2) ?
C12 C17 C16 . . 120.1(3) ?
C12 C17 H11 . . 123.3(19) ?
C16 C17 H11 . . 116.5(19) ?
O3 C18 N2 . . 128.5(3) ?
O3 C18 O4 . . 123.4(2) ?
N2 C18 O4 . . 108.1(2) ?
C20 C19 C28 . . 118.0(2) ?
C20 C19 C1 . 3_666 122.9(2) ?
C28 C19 C1 . 3_666 119.1(2) ?
C19 C20 O4 . . 117.8(2) ?
C19 C20 C21 . . 122.7(3) ?
O4 C20 C21 . . 119.2(3) ?
C22 C21 C20 . . 120.0(3) ?
C22 C21 H13 . . 118.9(18) ?
C20 C21 H13 . . 121.1(18) ?
C21 C22 C23 . . 120.8(3) ?
C21 C22 H14 . . 119.8(18) ?
C23 C22 H14 . . 119.3(18) ?
C22 C23 C24 . . 122.1(3) ?
C22 C23 C28 . . 118.9(3) ?
C24 C23 C28 . . 119.0(3) ?
C25 C24 C23 . . 121.2(3) ?
C25 C24 H15 . . 122.(2) ?
C23 C24 H15 . . 116.(2) ?
C24 C25 C26 . . 120.1(3) ?
C24 C25 H16 . . 125.3(19) ?
C26 C25 H16 . . 114.7(19) ?
C27 C26 C25 . . 120.6(3) ?
C27 C26 H17 . . 113.5(17) ?
C25 C26 H17 . . 125.9(17) ?
C26 C27 C28 . . 121.1(3) ?
C26 C27 H18 . . 119.6(16) ?
C28 C27 H18 . . 119.3(16) ?
C27 C28 C23 . . 118.1(2) ?
C27 C28 C19 . . 122.4(3) ?
C23 C28 C19 . . 119.6(2) ?
C11 N1 C12 . . 124.9(2) ?
C11 N1 H7 . . 117.8(19) ?
C12 N1 H7 . . 117.2(19) ?
C18 N2 C15 . . 124.4(2) ?
C18 N2 H12 . . 119.4(18) ?
C15 N2 H12 . . 115.2(18) ?
C11 O1 C2 . . 115.9(2) ?
C18 O4 C20 . . 116.4(2) ?
C1A O1A C4A . . 108.3(2) ?
O1A C1A C2A . . 105.9(3) ?
O1A C1A H1A . . 111.5(14) ?
C2A C1A H1A . . 110.9(14) ?
O1A C1A H2A . . 106.(2) ?
C2A C1A H2A . . 109.(2) ?
H1A C1A H2A . . 113.(3) ?
C3A C2A C1A . . 102.7(3) ?
C3A C2A H3A . . 113.9(17) ?
C1A C2A H3A . . 113.5(18) ?
C3A C2A H4A . . 112.(2) ?
C1A C2A H4A . . 110.(2) ?
H3A C2A H4A . . 105.(3) ?
C2A C3A C4A . . 102.3(3) ?
C2A C3A H5A . . 108.2(17) ?
C4A C3A H5A . . 113.6(17) ?
C2A C3A H6A . . 110.(2) ?
C4A C3A H6A . . 115.(2) ?
H5A C3A H6A . . 107.(3) ?
O1A C4A C3A . . 105.4(3) ?
O1A C4A H7A . . 108.(2) ?
C3A C4A H7A . . 114.(2) ?
O1A C4A H8A . . 113.(2) ?
C3A C4A H8A . . 108.(2) ?
H7A C4A H8A . . 109.(3) ?
Cl2B C1B Cl3B . . 109.5(8) ?
Cl2B C1B Cl1B . . 109.9(9) ?
Cl3B C1B Cl1B . . 105.0(9) ?
Cl2B C1B H1B . . 110.7 ?
Cl3B C1B H1B . . 110.7 ?
Cl1B C1B H1B . . 110.7 ?
Cl1C C1C Cl3C . . 127.1(14) ?
Cl1C C1C Cl2C . . 118.7(11) ?
Cl3C C1C Cl2C . . 103.0(11) ?
Cl1C C1C H1C . . 101.1 ?
Cl3C C1C H1C . . 101.1 ?
Cl2C C1C H1C . . 101.1 ?

