#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/61/2236123.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2236123
loop_
_publ_author_name
'Köysal, Yavuz'
'Öztürk Yildirim, Sema'
'Butcher, Ray J.'
'Düğdü, Esra'
_publ_section_title
;
 1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene
;
_journal_coeditor_code           BT6833
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2993
_journal_page_last               o2994
_journal_paper_doi               10.1107/S1600536812038299
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C50 H60 Cl8 O12'
_chemical_formula_moiety         'C50 H60 Cl8 O12'
_chemical_formula_sum            'C50 H60 Cl8 O12'
_chemical_formula_weight         1136.58
_chemical_name_systematic
;
1,1,2,2-Tetrakis[2,4-dichloro-6-(diethoxymethyl)phenoxymethyl]ethene
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.425(3)
_cell_angle_beta                 102.878(3)
_cell_angle_gamma                105.391(3)
_cell_formula_units_Z            1
_cell_length_a                   8.0626(3)
_cell_length_b                   12.8693(5)
_cell_length_c                   13.9968(6)
_cell_measurement_reflns_used    4477
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.3872
_cell_measurement_theta_min      3.0416
_cell_volume                     1337.31(10)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2011)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.825
_diffrn_measurement_device_type  'Agilent Xcalibur (Ruby, Gemini)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10254
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         29.45
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    0.481
_exptl_absorpt_correction_T_max  0.9671
_exptl_absorpt_correction_T_min  0.7549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[CrysAlis RED (Agilent, 2011), based on expressions derived from
Clark & Reid (1995)]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.386
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6125
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0366P)²+0.6175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                5231
_reflns_number_total             6125
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt6833.cif
_cod_data_source_block           I
_cod_original_cell_volume        1337.29(9)
_cod_database_code               2236123
_cod_database_fobs_code          2236123
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 -0.23088(6) 0.18327(3) -0.05330(3) 0.03455(11) Uani d . 1 1 A .
Cl Cl2 0.27679(5) 0.55748(3) 0.14470(3) 0.03249(10) Uani d . 1 1 A .
Cl Cl3 1.09088(5) 0.67178(3) 0.63733(3) 0.02509(9) Uani d . 1 1 A .
Cl Cl4 1.49291(5) 0.83171(4) 0.39813(3) 0.03397(10) Uani d . 1 1 A .
O O1 0.06285(14) 0.10425(9) 0.28297(8) 0.0261(3) Uani d . 1 1 . .
O O2 0.36555(14) 0.17140(9) 0.28761(8) 0.0224(2) Uani d . 1 1 . .
O O3 0.38227(14) 0.41369(8) 0.29369(8) 0.0246(2) Uani d . 1 1 . .
O O4 0.69832(14) 0.58377(9) 0.23343(8) 0.0247(2) Uani d . 1 1 . .
O O5 0.83793(15) 0.75433(10) 0.20043(8) 0.0284(3) Uani d . 1 1 . .
O O6 0.78680(12) 0.65010(8) 0.46395(8) 0.0199(2) Uani d . 1 1 . .
C C1 0.23412(18) 0.36585(12) 0.21470(11) 0.0181(3) Uani d . 1 1 A .
C C2 0.17432(19) 0.41902(12) 0.13926(11) 0.0207(3) Uani d . 1 1 . .
C C3 0.03219(19) 0.36340(13) 0.05666(12) 0.0219(3) Uani d . 1 1 A .
H H3A -0.0064 0.4001 0.0053 0.026 Uiso calc R 1 1 . .
C C4 -0.05207(19) 0.25336(13) 0.05072(11) 0.0212(3) Uani d . 1 1 . .
C C5 0.00081(19) 0.19851(12) 0.12452(11) 0.0204(3) Uani d . 1 1 A .
H H5A -0.0606 0.1231 0.1193 0.024 Uiso calc R 1 1 . .
C C6 0.14491(18) 0.25450(12) 0.20676(11) 0.0177(3) Uani d . 1 1 . .
C C7 0.20623(19) 0.19703(12) 0.29041(11) 0.0203(3) Uani d . 1 1 A .
H H7A 0.2288 0.2474 0.3558 0.024 Uiso calc R 1 1 . .
C C8 0.0878(2) 0.05009(16) 0.36587(14) 0.0360(4) Uani d . 1 1 . .
H H8A 0.1526 0.1048 0.4286 0.043 Uiso calc R 1 1 . .
H H8B 0.1581 -0.0008 0.3557 0.043 Uiso calc R 1 1 . .
C C9 -0.0953(2) -0.01277(15) 0.37163(14) 0.0366(4) Uani d . 1 1 . .
H H9A -0.0838 -0.0623 0.4186 0.055 Uiso calc R 1 1 . .
H H9B -0.1664 -0.0559 0.3052 0.055 Uiso calc R 1 1 . .
H H9C -0.1545 0.0391 0.3948 0.055 Uiso calc R 1 1 . .
C C10 0.3566(2) 0.10171(17) 0.19734(14) 0.0384(4) Uani d . 1 1 . .
H H10A 0.3398 0.1403 0.1408 0.046 Uiso calc R 1 1 . .
H H10B 0.2538 0.0342 0.1828 0.046 Uiso calc R 1 1 . .
C C11 0.5243(3) 0.07216(18) 0.20881(18) 0.0505(6) Uani d . 1 1 . .
H H11A 0.5235 0.0302 0.1450 0.076 Uiso calc R 1 1 . .
H H11B 0.5340 0.0274 0.2601 0.076 Uiso calc R 1 1 . .
H H11C 0.6263 0.1394 0.2289 0.076 Uiso calc R 1 1 . .
C C12 0.3929(3) 0.5092(2) 0.36286(19) 0.0173(5) Uani d P 0.828(3) 1 A 1
H H12A 0.2743 0.5051 0.3738 0.021 Uiso calc PR 0.828(3) 1 A 1
H H12B 0.4360 0.5768 0.3374 0.021 Uiso calc PR 0.828(3) 1 A 1
C C13 0.5229(2) 0.50930(13) 0.45844(14) 0.0173(4) Uani d PU 0.828(3) 1 . 1
C C14 0.7108(3) 0.5318(2) 0.44948(19) 0.0156(5) Uani d P 0.828(3) 1 A 1
H H14A 0.7817 0.5029 0.5008 0.019 Uiso calc PR 0.828(3) 1 A 1
H H14B 0.7109 0.4957 0.3826 0.019 Uiso calc PR 0.828(3) 1 A 1
C C12B 0.3501(18) 0.5066(13) 0.3681(11) 0.0173(5) Uani d P 0.172(3) 1 . 2
H H12C 0.4165 0.5802 0.3601 0.021 Uiso calc PR 0.172(3) 1 A 2
H H12D 0.2215 0.5003 0.3518 0.021 Uiso calc PR 0.172(3) 1 A 2
C C13B 0.5857(9) 0.5064(6) 0.5228(6) 0.0069(12) Uani d PU 0.172(3) 1 . 2
C C14B 0.7384(19) 0.5280(13) 0.4666(12) 0.0156(5) Uani d P 0.172(3) 1 A 2
H H14C 0.8434 0.5096 0.5031 0.019 Uiso calc PR 0.172(3) 1 A 2
H H14D 0.6946 0.4831 0.3979 0.019 Uiso calc PR 0.172(3) 1 A 2
C C15 0.95214(18) 0.68454(11) 0.44614(11) 0.0173(3) Uani d . 1 1 A .
C C16 1.10747(19) 0.70221(12) 0.52180(11) 0.0184(3) Uani d . 1 1 . .
C C17 1.27632(19) 0.74633(12) 0.50857(12) 0.0212(3) Uani d . 1 1 A .
H H17A 1.3817 0.7582 0.5607 0.025 Uiso calc R 1 1 . .
C C18 1.28421(19) 0.77210(12) 0.41639(12) 0.0217(3) Uani d . 1 1 . .
C C19 1.13317(19) 0.75490(13) 0.33920(12) 0.0223(3) Uani d . 1 1 A .
H H19A 1.1437 0.7729 0.2767 0.027 Uiso calc R 1 1 . .
C C20 0.96562(19) 0.71107(12) 0.35371(11) 0.0193(3) Uani d . 1 1 . .
C C21 0.7944(2) 0.69472(13) 0.27337(12) 0.0225(3) Uani d . 1 1 A .
H H21A 0.7165 0.7284 0.3052 0.027 Uiso calc R 1 1 . .
C C22 0.7855(2) 0.52048(15) 0.18194(14) 0.0321(4) Uani d . 1 1 . .
H H22A 0.8899 0.5121 0.2295 0.039 Uiso calc R 1 1 . .
H H22B 0.8272 0.5574 0.1300 0.039 Uiso calc R 1 1 . .
C C23 0.6502(3) 0.40991(17) 0.13475(16) 0.0435(5) Uani d . 1 1 . .
H H23A 0.7047 0.3638 0.0986 0.065 Uiso calc R 1 1 . .
H H23B 0.5478 0.4195 0.0880 0.065 Uiso calc R 1 1 . .
H H23C 0.6101 0.3744 0.1870 0.065 Uiso calc R 1 1 . .
C C24 0.6835(2) 0.76496(16) 0.13328(14) 0.0350(4) Uani d . 1 1 . .
H H24A 0.6044 0.7868 0.1714 0.042 Uiso calc R 1 1 . .
H H24B 0.6157 0.6938 0.0871 0.042 Uiso calc R 1 1 . .
C C25 0.7450(3) 0.85117(19) 0.07503(15) 0.0456(5) Uani d . 1 1 . .
H H25A 0.6409 0.8612 0.0300 0.068 Uiso calc R 1 1 . .
H H25B 0.8198 0.8276 0.0357 0.068 Uiso calc R 1 1 . .
H H25C 0.8145 0.9209 0.1214 0.068 Uiso calc R 1 1 . .
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'
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'
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
C7 O1 C8 . . 113.60(12)
C7 O2 C10 . . 115.03(12)
C1 O3 C12 . . 120.44(13)
C1 O3 C12B . . 110.8(5)
C21 O4 C22 . . 116.34(12)
C21 O5 C24 . . 112.49(12)
C15 O6 C14 . . 114.90(14)
C15 O6 C14B . . 109.8(6)
O3 C1 C2 . . 124.19(13)
O3 C1 C6 . . 117.07(13)
C2 C1 C6 . . 118.61(13)
C3 C2 C1 . . 121.46(14)
C3 C2 Cl2 . . 117.32(12)
C1 C2 Cl2 . . 121.21(11)
C4 C3 C2 . . 118.47(14)
C4 C3 H3A . . 120.8
C2 C3 H3A . . 120.8
C5 C4 C3 . . 121.80(14)
C5 C4 Cl1 . . 119.71(12)
C3 C4 Cl1 . . 118.50(12)
C4 C5 C6 . . 119.47(14)
C4 C5 H5A . . 120.3
C6 C5 H5A . . 120.3
C5 C6 C1 . . 120.17(13)
C5 C6 C7 . . 121.03(13)
C1 C6 C7 . . 118.79(12)
O1 C7 O2 . . 112.96(12)
O1 C7 C6 . . 106.45(11)
O2 C7 C6 . . 113.03(12)
O1 C7 H7A . . 108.1
O2 C7 H7A . . 108.1
C6 C7 H7A . . 108.1
O1 C8 C9 . . 107.14(14)
O1 C8 H8A . . 110.3
C9 C8 H8A . . 110.3
O1 C8 H8B . . 110.3
C9 C8 H8B . . 110.3
H8A C8 H8B . . 108.5
C8 C9 H9A . . 109.5
C8 C9 H9B . . 109.5
H9A C9 H9B . . 109.5
C8 C9 H9C . . 109.5
H9A C9 H9C . . 109.5
H9B C9 H9C . . 109.5
O2 C10 C11 . . 109.21(15)
O2 C10 H10A . . 109.8
C11 C10 H10A . . 109.8
O2 C10 H10B . . 109.8
C11 C10 H10B . . 109.8
H10A C10 H10B . . 108.3
C10 C11 H11A . . 109.5
C10 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C10 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
O3 C12 C13 . . 105.59(18)
O3 C12 H12A . . 110.6
C13 C12 H12A . . 110.6
O3 C12 H12B . . 110.6
C13 C12 H12B . . 110.6
H12A C12 H12B . . 108.8
C13 C13 C14 2_666 . 123.5(2)
C13 C13 C12 2_666 . 123.9(2)
C14 C13 C12 . . 112.58(17)
O6 C14 C13 . . 107.35(19)
O6 C14 H14A . . 110.2
C13 C14 H14A . . 110.2
O6 C14 H14B . . 110.2
C13 C14 H14B . . 110.2
H14A C14 H14B . . 108.5
C13B C12B O3 2_666 . 109.8(10)
C13B C12B H12C 2_666 . 109.7
O3 C12B H12C . . 109.7
C13B C12B H12D 2_666 . 109.7
O3 C12B H12D . . 109.7
H12C C12B H12D . . 108.2
C13B C13B C12B 2_666 2_666 123.3(10)
C13B C13B C14B 2_666 . 122.6(10)
C12B C13B C14B 2_666 . 113.9(9)
O6 C14B C13B . . 105.5(10)
O6 C14B H14C . . 110.6
C13B C14B H14C . . 110.6
O6 C14B H14D . . 110.6
C13B C14B H14D . . 110.6
H14C C14B H14D . . 108.8
O6 C15 C16 . . 120.73(13)
O6 C15 C20 . . 119.87(13)
C16 C15 C20 . . 119.18(12)
C15 C16 C17 . . 121.93(14)
C15 C16 Cl3 . . 119.22(11)
C17 C16 Cl3 . . 118.82(11)
C18 C17 C16 . . 117.21(14)
C18 C17 H17A . . 121.4
C16 C17 H17A . . 121.4
C19 C18 C17 . . 122.55(13)
C19 C18 Cl4 . . 118.80(12)
C17 C18 Cl4 . . 118.63(11)
C18 C19 C20 . . 119.52(14)
C18 C19 H19A . . 120.2
C20 C19 H19A . . 120.2
C19 C20 C15 . . 119.61(13)
C19 C20 C21 . . 122.06(13)
C15 C20 C21 . . 118.30(12)
O4 C21 O5 . . 113.06(13)
O4 C21 C20 . . 113.33(12)
O5 C21 C20 . . 108.04(12)
O4 C21 H21A . . 107.4
O5 C21 H21A . . 107.4
C20 C21 H21A . . 107.4
O4 C22 C23 . . 106.83(14)
O4 C22 H22A . . 110.4
C23 C22 H22A . . 110.4
O4 C22 H22B . . 110.4
C23 C22 H22B . . 110.4
H22A C22 H22B . . 108.6
C22 C23 H23A . . 109.5
C22 C23 H23B . . 109.5
H23A C23 H23B . . 109.5
C22 C23 H23C . . 109.5
H23A C23 H23C . . 109.5
H23B C23 H23C . . 109.5
O5 C24 C25 . . 108.28(14)
O5 C24 H24A . . 110.0
C25 C24 H24A . . 110.0
O5 C24 H24B . . 110.0
C25 C24 H24B . . 110.0
H24A C24 H24B . . 108.4
C24 C25 H25A . . 109.5
C24 C25 H25B . . 109.5
H25A C25 H25B . . 109.5
C24 C25 H25C . . 109.5
H25A C25 H25C . . 109.5
H25B C25 H25C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cl1 C4 . 1.7454(15)
Cl2 C2 . 1.7376(15)
Cl3 C16 . 1.7374(15)
Cl4 C18 . 1.7442(14)
O1 C7 . 1.3980(17)
O1 C8 . 1.433(2)
O2 C7 . 1.4158(18)
O2 C10 . 1.428(2)
O3 C1 . 1.3686(17)
O3 C12 . 1.434(3)
O3 C12B . 1.595(15)
O4 C21 . 1.4018(18)
O4 C22 . 1.433(2)
O5 C21 . 1.4047(19)
O5 C24 . 1.433(2)
O6 C15 . 1.3779(16)
O6 C14 . 1.451(3)
O6 C14B . 1.522(16)
C1 C2 . 1.397(2)
C1 C6 . 1.400(2)
C2 C3 . 1.386(2)
C3 C4 . 1.381(2)
C3 H3A . 0.9500
C4 C5 . 1.378(2)
C5 C6 . 1.393(2)
C5 H5A . 0.9500
C6 C7 . 1.524(2)
C7 H7A . 1.0000
C8 C9 . 1.509(2)
C8 H8A . 0.9900
C8 H8B . 0.9900
C9 H9A . 0.9800
C9 H9B . 0.9800
C9 H9C . 0.9800
C10 C11 . 1.479(3)
C10 H10A . 0.9900
C10 H10B . 0.9900
C11 H11A . 0.9800
C11 H11B . 0.9800
C11 H11C . 0.9800
C12 C13 . 1.504(3)
C12 H12A . 0.9900
C12 H12B . 0.9900
C13 C13 2_666 1.328(4)
C13 C14 . 1.502(3)
C14 H14A . 0.9900
C14 H14B . 0.9900
C12B C13B 2_666 1.546(17)
C12B H12C . 0.9900
C12B H12D . 0.9900
C13B C13B 2_666 1.342(15)
C13B C12B 2_666 1.546(17)
C13B C14B . 1.587(18)
C14B H14C . 0.9900
C14B H14D . 0.9900
C15 C16 . 1.392(2)
C15 C20 . 1.400(2)
C16 C17 . 1.393(2)
C17 C18 . 1.384(2)
C17 H17A . 0.9500
C18 C19 . 1.381(2)
C19 C20 . 1.390(2)
C19 H19A . 0.9500
C20 C21 . 1.519(2)
C21 H21A . 1.0000
C22 C23 . 1.504(3)
C22 H22A . 0.9900
C22 H22B . 0.9900
C23 H23A . 0.9800
C23 H23B . 0.9800
C23 H23C . 0.9800
C24 C25 . 1.505(3)
C24 H24A . 0.9900
C24 H24B . 0.9900
C25 H25A . 0.9800
C25 H25B . 0.9800
C25 H25C . 0.9800
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C12 H12B Cl2 . 0.99 2.66 3.180(3) 112.7
C14 H14B O3 . 0.99 2.53 2.918(2) 103.2
C14 H14B O4 . 0.99 2.50 3.166(3) 124.7
C17 H17A O2 2_766 0.95 2.47 3.3943(18) 165.8
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C12 O3 C1 C2 . . 60.8(2)
C12B O3 C1 C2 . . 69.3(6)
C12 O3 C1 C6 . . -123.32(17)
C12B O3 C1 C6 . . -114.9(6)
O3 C1 C2 C3 . . 174.42(14)
C6 C1 C2 C3 . . -1.4(2)
O3 C1 C2 Cl2 . . -5.0(2)
C6 C1 C2 Cl2 . . 179.27(11)
C1 C2 C3 C4 . . 0.9(2)
Cl2 C2 C3 C4 . . -179.74(12)
C2 C3 C4 C5 . . 0.4(2)
C2 C3 C4 Cl1 . . -179.94(12)
C3 C4 C5 C6 . . -1.1(2)
Cl1 C4 C5 C6 . . 179.24(12)
C4 C5 C6 C1 . . 0.6(2)
C4 C5 C6 C7 . . 179.39(14)
O3 C1 C6 C5 . . -175.45(13)
C2 C1 C6 C5 . . 0.6(2)
O3 C1 C6 C7 . . 5.7(2)
C2 C1 C6 C7 . . -178.22(14)
C8 O1 C7 O2 . . 64.73(17)
C8 O1 C7 C6 . . -170.66(13)
C10 O2 C7 O1 . . 61.96(17)
C10 O2 C7 C6 . . -58.98(17)
C5 C6 C7 O1 . . -19.60(19)
C1 C6 C7 O1 . . 159.23(13)
C5 C6 C7 O2 . . 104.97(15)
C1 C6 C7 O2 . . -76.20(17)
C7 O1 C8 C9 . . 155.99(14)
C7 O2 C10 C11 . . -173.98(16)
C1 O3 C12 C13 . . 155.76(13)
C12B O3 C12 C13 . . 116(3)
O3 C12 C13 C13 . 2_666 -110.9(2)
O3 C12 C13 C14 . . 68.6(2)
C15 O6 C14 C13 . . -172.50(14)
C14B O6 C14 C13 . . 122(4)
C13 C13 C14 O6 2_666 . -98.1(3)
C12 C13 C14 O6 . . 82.5(2)
C1 O3 C12B C13B . 2_666 133.7(6)
C12 O3 C12B C13B . 2_666 -83(3)
C15 O6 C14B C13B . . 161.1(6)
C14 O6 C14B C13B . . -80(4)
C13B C13B C14B O6 2_666 . 80.1(12)
C12B C13B C14B O6 2_666 . -104.0(10)
C14 O6 C15 C16 . . -87.63(18)
C14B O6 C15 C16 . . -76.5(6)
C14 O6 C15 C20 . . 97.79(17)
C14B O6 C15 C20 . . 108.9(6)
O6 C15 C16 C17 . . -174.14(13)
C20 C15 C16 C17 . . 0.5(2)
O6 C15 C16 Cl3 . . 4.17(19)
C20 C15 C16 Cl3 . . 178.78(11)
C15 C16 C17 C18 . . -0.1(2)
Cl3 C16 C17 C18 . . -178.42(11)
C16 C17 C18 C19 . . -0.5(2)
C16 C17 C18 Cl4 . . 177.93(11)
C17 C18 C19 C20 . . 0.6(2)
Cl4 C18 C19 C20 . . -177.74(12)
C18 C19 C20 C15 . . -0.3(2)
C18 C19 C20 C21 . . 177.35(14)
O6 C15 C20 C19 . . 174.37(13)
C16 C15 C20 C19 . . -0.3(2)
O6 C15 C20 C21 . . -3.3(2)
C16 C15 C20 C21 . . -177.98(13)
C22 O4 C21 O5 . . 60.38(17)
C22 O4 C21 C20 . . -63.00(18)
C24 O5 C21 O4 . . 66.86(17)
C24 O5 C21 C20 . . -166.88(13)
C19 C20 C21 O4 . . 111.86(16)
C15 C20 C21 O4 . . -70.51(18)
C19 C20 C21 O5 . . -14.2(2)
C15 C20 C21 O5 . . 163.40(13)
C21 O4 C22 C23 . . -172.83(15)
C21 O5 C24 C25 . . 166.58(15)
