#------------------------------------------------------------------------------
#$Date: 2017-03-27 08:13:23 +0300 (Mon, 27 Mar 2017) $
#$Revision: 194538 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/18/2201849.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_2201849
loop_
_publ_author_name
'Li, Xiao-Fang'
'Feng, Ya-Qing'
'Zhuang, Jun-Peng'
'Hu, Xiao-Fen'
_publ_section_title
;4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-diazadispiro[4.1.4.3]tetradeca-2,9-dien-6-one
 0.75-hydrate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o247
_journal_page_last               o249
_journal_paper_doi               10.1107/S1600536803002034
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C34 H22 Cl6 N2 O3, 0.75H2 O'
_chemical_formula_moiety         'C34 H22 Cl6 N2 O3, 0.75H2 O'
_chemical_formula_sum            'C34 H23.5 Cl6 N2 O3.75'
_chemical_formula_weight         732.75
_chemical_melting_point          .498E-305
_chemical_name_systematic
;
4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-
2,9-diaza-dispiro[4.1.4.3]tetradeca-2,9-dien-6-one hydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.915(7)
_cell_angle_beta                 96.371(7)
_cell_angle_gamma                110.718(10)
_cell_formula_units_Z            2
_cell_length_a                   8.834(3)
_cell_length_b                   10.304(3)
_cell_length_c                   20.576(6)
_cell_measurement_reflns_used    747
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.35
_cell_measurement_theta_min      2.75
_cell_volume                     1735.7(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8673
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.07
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.421
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         5928
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1480
_refine_ls_R_factor_gt           0.0680
_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)+(0.084P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1860
_reflns_number_gt                3052
_reflns_number_total             5928
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf6232.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1735.7(10)
_cod_database_code               2201849
_cod_database_fobs_code          2201849
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
_atom_site_attached_hydrogens
N1 0.5047(5) 0.8085(4) 0.76958(19) 0.0484(10) Uani d . 1 . . N 0
N2 1.0439(5) 0.9456(5) 0.6326(2) 0.0570(11) Uani d . 1 . . N 0
O1 0.9024(4) 1.0924(4) 0.73460(18) 0.0782(12) Uani d . 1 . . O 0
O2 0.5206(4) 0.8588(3) 0.70596(14) 0.0479(8) Uani d . 1 . . O 0
O3 0.9730(4) 1.0462(3) 0.61719(16) 0.0589(9) Uani d . 1 . . O 0
Cl1 0.2735(4) 1.4464(3) 0.83911(13) 0.1747(14) Uani d U 1 . . Cl 0
Cl2 0.22170(18) 0.78122(18) 0.86357(8) 0.0874(5) Uani d U 1 . . Cl 0
Cl3 0.8832(2) 0.9862(3) 0.89438(8) 0.1097(7) Uani d U 1 . . Cl 0
Cl4 0.4646(2) 0.56384(14) 0.34339(7) 0.0739(5) Uani d U 1 . . Cl 0
Cl5 0.8455(2) 0.71902(19) 0.76222(7) 0.0802(5) Uani d U 1 . . Cl 0
Cl6 1.1063(2) 0.70888(19) 0.53636(8) 0.0874(6) Uani d U 1 . . Cl 0
C1 0.7853(6) 1.0321(5) 0.6963(2) 0.0435(11) Uani d . 1 . . C 0
C2 0.6110(6) 1.0077(5) 0.7126(2) 0.0428(11) Uani d . 1 . . C 0
C3 0.5278(7) 1.0741(6) 0.6621(2) 0.0572(14) Uani d . 1 . . C 0
H3A 0.5795 1.1745 0.6686 0.069 Uiso calc R 1 . . H 0
H3B 0.4141 1.0494 0.6684 0.069 Uiso calc R 1 . . H 0
C4 0.5379(7) 1.0264(5) 0.5922(2) 0.0579(14) Uani d . 1 . . C 0
H4A 0.4790 0.9268 0.5847 0.070 Uiso calc R 1 . . H 0
H4B 0.4856 1.0719 0.5615 0.070 Uiso calc R 1 . . H 0
C5 0.7130(7) 1.0592(5) 0.5792(2) 0.0541(14) Uani d . 1 . . C 0
H5A 0.7704 1.1592 0.5844 0.065 Uiso calc R 1 . . H 0
H5B 0.7134 1.0276 0.5344 0.065 Uiso calc R 1 . . H 0
C6 0.8024(6) 0.9899(5) 0.6258(2) 0.0460(12) Uani d . 1 . . C 0
C7 0.6171(6) 1.0520(5) 0.7857(2) 0.0438(11) Uani d . 1 . . C 0
H7 0.7318 1.0986 0.8043 0.053 Uiso calc R 1 . . H 0
C8 0.5550(5) 0.9117(5) 0.8119(2) 0.0460(12) Uani d . 1 . . C 0
C9 0.7595(5) 0.8307(4) 0.6148(2) 0.0397(11) Uani d . 1 . . C 0
H9 0.6881 0.7821 0.6465 0.048 Uiso calc R 1 . . H 0
C10 0.9304(6) 0.8285(5) 0.6328(2) 0.0440(11) Uani d . 1 . . C 0
C11 0.5247(6) 1.1469(5) 0.8009(2) 0.0472(12) Uani d . 1 . . C 0
C12 0.3574(7) 1.1040(6) 0.7914(3) 0.0649(15) Uani d . 1 . . C 0
H12 0.2952 1.0122 0.7766 0.078 Uiso calc R 1 . . H 0
C13 0.2806(9) 1.1978(9) 0.8039(3) 0.090(2) Uani d . 1 . . C 0
H13 0.1673 1.1692 0.7979 0.108 Uiso calc R 1 . . H 0
C14 0.3738(14) 1.3314(9) 0.8249(3) 0.089(2) Uani d . 1 . . C 0
C15 0.5378(14) 1.3750(7) 0.8345(3) 0.096(2) Uani d . 1 . . C 0
H15 0.5990 1.4670 0.8492 0.115 Uiso calc R 1 . . H 0
C16 0.6145(8) 1.2839(6) 0.8228(3) 0.0677(16) Uani d . 1 . . C 0
H16 0.7279 1.3143 0.8295 0.081 Uiso calc R 1 . . H 0
C17 0.5526(6) 0.8856(5) 0.8832(2) 0.0514(13) Uani d . 1 . . C 0
C18 0.4108(7) 0.8282(5) 0.9115(3) 0.0611(14) Uani d . 1 . . C 0
C19 0.4134(9) 0.8064(6) 0.9775(3) 0.0787(18) Uani d . 1 . . C 0
H19 0.3162 0.7652 0.9948 0.094 Uiso calc R 1 . . H 0
C20 0.5575(11) 0.8452(8) 1.0166(3) 0.089(2) Uani d . 1 . . C 0
H20 0.5589 0.8318 1.0611 0.107 Uiso calc R 1 . . H 0
C21 0.7001(9) 0.9034(7) 0.9918(3) 0.0829(19) Uani d . 1 . . C 0
H21 0.7991 0.9306 1.0191 0.100 Uiso calc R 1 . . H 0
C22 0.6970(7) 0.9220(6) 0.9255(3) 0.0699(16) Uani d . 1 . . C 0
C23 0.6846(5) 0.7683(4) 0.5453(2) 0.0393(11) Uani d . 1 . . C 0
C24 0.5204(5) 0.6848(4) 0.5330(2) 0.0428(11) Uani d . 1 . . C 0
H24 0.4568 0.6690 0.5671 0.051 Uiso calc R 1 . . H 0
C25 0.4508(6) 0.6251(5) 0.4708(2) 0.0473(12) Uani d . 1 . . C 0
H25 0.3404 0.5706 0.4626 0.057 Uiso calc R 1 . . H 0
C26 0.5484(6) 0.6477(5) 0.4206(2) 0.0450(12) Uani d . 1 . . C 0
C27 0.7065(6) 0.7348(5) 0.4310(2) 0.0473(12) Uani d . 1 . . C 0
H27 0.7684 0.7541 0.3964 0.057 Uiso calc R 1 . . H 0
C28 0.7745(5) 0.7943(5) 0.4931(2) 0.0439(11) Uani d . 1 . . C 0
H28 0.8834 0.8533 0.5003 0.053 Uiso calc R 1 . . H 0
C29 0.9711(5) 0.7045(5) 0.6495(2) 0.0475(12) Uani d . 1 . . C 0
C30 0.9347(6) 0.6451(6) 0.7082(3) 0.0595(14) Uani d . 1 . . C 0
C31 0.9686(8) 0.5288(7) 0.7260(3) 0.0797(18) Uani d . 1 . . C 0
H31 0.9419 0.4909 0.7654 0.096 Uiso calc R 1 . . H 0
C32 1.0431(9) 0.4700(7) 0.6840(4) 0.089(2) Uani d . 1 . . C 0
H32 1.0668 0.3921 0.6954 0.106 Uiso calc R 1 . . H 0
C33 1.0817(8) 0.5250(7) 0.6265(3) 0.0790(18) Uani d . 1 . . C 0
H33 1.1306 0.4844 0.5983 0.095 Uiso calc R 1 . . H 0
C34 1.0480(6) 0.6413(6) 0.6100(3) 0.0583(14) Uani d . 1 . . C 0
O4 1.0000 0.5000 1.0000 0.256(14) Uani d SPU 0.50 . . O 2
O4' 1.119(3) 0.382(2) 1.0168(11) 0.237(8) Uani d PU 0.50 . . O 2
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C8 N1 O2 108.7(4) y
C10 N2 O3 108.6(4) y
N1 O2 C2 109.3(3) y
N2 O3 C6 108.8(3) y
O1 C1 C6 120.8(4) y
O1 C1 C2 121.5(4) y
C6 C1 C2 117.3(4) y
O2 C2 C3 107.9(4) y
O2 C2 C7 105.0(3) y
C3 C2 C7 117.1(4) y
O2 C2 C1 107.8(3) y
C3 C2 C1 108.6(4) y
C7 C2 C1 110.1(4) y
C2 C3 C4 111.5(4) ?
C2 C3 H3A 109.3 ?
C4 C3 H3A 109.3 ?
C2 C3 H3B 109.3 ?
C4 C3 H3B 109.3 ?
H3A C3 H3B 108.0 ?
C5 C4 C3 112.1(4) ?
C5 C4 H4A 109.2 ?
C3 C4 H4A 109.2 ?
C5 C4 H4B 109.2 ?
C3 C4 H4B 109.2 ?
H4A C4 H4B 107.9 ?
C4 C5 C6 111.8(4) ?
C4 C5 H5A 109.2 ?
C6 C5 H5A 109.2 ?
C4 C5 H5B 109.2 ?
C6 C5 H5B 109.2 ?
H5A C5 H5B 107.9 ?
O3 C6 C5 107.3(4) y
O3 C6 C1 108.5(4) y
C5 C6 C1 107.6(4) y
O3 C6 C9 103.0(4) y
C5 C6 C9 118.4(4) y
C1 C6 C9 111.5(4) y
C8 C7 C11 114.8(4) y
C8 C7 C2 99.7(4) y
C11 C7 C2 117.0(4) y
C8 C7 H7 108.3 ?
C11 C7 H7 108.3 ?
C2 C7 H7 108.3 ?
N1 C8 C7 115.9(4) y
N1 C8 C17 118.9(4) y
C7 C8 C17 125.2(4) y
C10 C9 C23 112.8(4) y
C10 C9 C6 98.0(3) y
C23 C9 C6 115.0(4) y
C10 C9 H9 110.2 ?
C23 C9 H9 110.2 ?
C6 C9 H9 110.2 ?
N2 C10 C29 119.8(4) y
N2 C10 C9 114.3(4) y
C29 C10 C9 126.0(4) y
C12 C11 C16 118.8(5) ?
C12 C11 C7 123.1(5) ?
C16 C11 C7 118.0(5) ?
C11 C12 C13 120.1(6) ?
C11 C12 H12 119.9 ?
C13 C12 H12 119.9 ?
C14 C13 C12 118.9(7) ?
C14 C13 H13 120.5 ?
C12 C13 H13 120.5 ?
C15 C14 C13 121.6(7) ?
C15 C14 Cl1 120.7(7) ?
C13 C14 Cl1 117.7(8) ?
C14 C15 C16 120.0(7) ?
C14 C15 H15 120.0 ?
C16 C15 H15 120.0 ?
C15 C16 C11 120.5(7) ?
C15 C16 H16 119.8 ?
C11 C16 H16 119.8 ?
C22 C17 C18 115.7(5) ?
C22 C17 C8 120.6(5) ?
C18 C17 C8 123.7(5) ?
C19 C18 C17 122.1(6) ?
C19 C18 Cl2 118.0(5) ?
C17 C18 Cl2 119.9(4) ?
C20 C19 C18 119.7(7) ?
C20 C19 H19 120.1 ?
C18 C19 H19 120.1 ?
C19 C20 C21 120.8(6) ?
C19 C20 H20 119.6 ?
C21 C20 H20 119.6 ?
C20 C21 C22 119.3(6) ?
C20 C21 H21 120.4 ?
C22 C21 H21 120.4 ?
C21 C22 C17 122.4(6) ?
C21 C22 Cl3 118.0(5) ?
C17 C22 Cl3 119.5(4) ?
C28 C23 C24 118.3(4) ?
C28 C23 C9 122.0(4) ?
C24 C23 C9 119.6(4) ?
C25 C24 C23 120.7(4) ?
C25 C24 H24 119.7 ?
C23 C24 H24 119.7 ?
C24 C25 C26 119.0(4) ?
C24 C25 H25 120.5 ?
C26 C25 H25 120.5 ?
C27 C26 C25 121.0(4) ?
C27 C26 Cl4 119.8(4) ?
C25 C26 Cl4 119.2(4) ?
C26 C27 C28 119.4(4) ?
C26 C27 H27 120.3 ?
C28 C27 H27 120.3 ?
C27 C28 C23 121.4(4) ?
C27 C28 H28 119.3 ?
C23 C28 H28 119.3 ?
C30 C29 C34 115.6(5) ?
C30 C29 C10 120.1(5) ?
C34 C29 C10 124.3(4) ?
C31 C30 C29 122.6(5) ?
C31 C30 Cl5 118.0(4) ?
C29 C30 Cl5 119.4(4) ?
C30 C31 C32 118.8(6) ?
C30 C31 H31 120.6 ?
C32 C31 H31 120.6 ?
C33 C32 C31 120.6(6) ?
C33 C32 H32 119.7 ?
C31 C32 H32 119.7 ?
C32 C33 C34 119.6(6) ?
C32 C33 H33 120.2 ?
C34 C33 H33 120.2 ?
C33 C34 C29 122.8(5) ?
C33 C34 Cl6 116.9(4) ?
C29 C34 Cl6 120.2(4) ?
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
N1 C8 . 1.267(6) y
N1 O2 . 1.427(5) y
N2 C10 . 1.267(6) ?
N2 O3 . 1.416(5) ?
O1 C1 . 1.187(5) y
O2 C2 . 1.450(5) y
O3 C6 . 1.445(6) ?
Cl1 C14 . 1.746(7) y
Cl2 C18 . 1.740(6) y
Cl3 C22 . 1.745(7) ?
Cl4 C26 . 1.735(5) ?
Cl5 C30 . 1.732(6) ?
Cl6 C34 . 1.743(6) ?
C1 C6 . 1.539(6) ?
C1 C2 . 1.547(7) y
C2 C3 . 1.524(6) y
C2 C7 . 1.546(6) y
C3 C4 . 1.527(6) ?
C3 H3A . 0.970 ?
C3 H3B . 0.970 ?
C4 C5 . 1.518(8) ?
C4 H4A . 0.970 ?
C4 H4B . 0.970 ?
C5 C6 . 1.526(6) ?
C5 H5A . 0.970 ?
C5 H5B . 0.970 ?
C6 C9 . 1.550(6) ?
C7 C8 . 1.497(7) y
C7 C11 . 1.523(6) y
C7 H7 . 0.980 ?
C8 C17 . 1.501(7) ?
C9 C10 . 1.522(6) ?
C9 C23 . 1.526(6) ?
C9 H9 . 0.980 ?
C10 C29 . 1.485(7) ?
C11 C12 . 1.373(7) ?
C11 C16 . 1.382(7) ?
C12 C13 . 1.396(8) ?
C12 H12 . 0.930 ?
C13 C14 . 1.356(10) ?
C13 H13 . 0.930 ?
C14 C15 . 1.346(11) ?
C15 C16 . 1.368(9) ?
C15 H15 . 0.930 ?
C16 H16 . 0.930 ?
C17 C22 . 1.386(7) ?
C17 C18 . 1.385(7) ?
C18 C19 . 1.382(8) ?
C19 C20 . 1.349(9) ?
C19 H19 . 0.930 ?
C20 C21 . 1.355(9) ?
C20 H20 . 0.930 ?
C21 C22 . 1.382(8) ?
C21 H21 . 0.930 ?
C23 C28 . 1.382(6) ?
C23 C24 . 1.389(6) ?
C24 C25 . 1.378(6) ?
C24 H24 . 0.930 ?
C25 C26 . 1.392(7) ?
C25 H25 . 0.930 ?
C26 C27 . 1.355(7) ?
C27 C28 . 1.375(6) ?
C27 H27 . 0.930 ?
C28 H28 . 0.930 ?
C29 C30 . 1.390(7) ?
C29 C34 . 1.395(7) ?
C30 C31 . 1.385(8) ?
C31 C32 . 1.386(9) ?
C31 H31 . 0.930 ?
C32 C33 . 1.355(9) ?
C32 H32 . 0.930 ?
C33 C34 . 1.377(8) ?
C33 H33 . 0.930 ?
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
C8 N1 O2 C2 8.7(5)
C10 N2 O3 C6 16.3(5)
N1 O2 C2 C3 -137.9(3)
N1 O2 C2 C7 -12.3(4)
N1 O2 C2 C1 105.0(4)
O1 C1 C2 O2 -122.3(5)
C6 C1 C2 O2 64.4(5)
O1 C1 C2 C3 121.1(5)
C6 C1 C2 C3 -52.2(5)
O1 C1 C2 C7 -8.3(6)
C6 C1 C2 C7 178.4(4)
O2 C2 C3 C4 -64.7(5)
C7 C2 C3 C4 177.2(4)
C1 C2 C3 C4 51.8(5)
C2 C3 C4 C5 -57.9(6)
C3 C4 C5 C6 59.2(5)
N2 O3 C6 C5 -152.1(3)
N2 O3 C6 C1 91.9(4)
N2 O3 C6 C9 -26.4(4)
C4 C5 C6 O3 -170.4(4)
C4 C5 C6 C1 -53.8(5)
C4 C5 C6 C9 73.7(5)
O1 C1 C6 O3 -4.8(6)
C2 C1 C6 O3 168.5(4)
O1 C1 C6 C5 -120.6(5)
C2 C1 C6 C5 52.7(5)
O1 C1 C6 C9 108.0(5)
C2 C1 C6 C9 -78.7(5)
O2 C2 C7 C8 10.8(4)
C3 C2 C7 C8 130.4(4)
C1 C2 C7 C8 -105.0(4)
O2 C2 C7 C11 -113.6(4)
C3 C2 C7 C11 6.0(6)
C1 C2 C7 C11 130.6(4)
O2 N1 C8 C7 -0.9(5)
O2 N1 C8 C17 -179.3(4)
C11 C7 C8 N1 119.4(4)
C2 C7 C8 N1 -6.5(5)
C11 C7 C8 C17 -62.3(6)
C2 C7 C8 C17 171.8(4)
O3 C6 C9 C10 24.6(4)
C5 C6 C9 C10 142.8(4)
C1 C6 C9 C10 -91.5(4)
O3 C6 C9 C23 -95.2(4)
C5 C6 C9 C23 23.0(6)
C1 C6 C9 C23 148.6(4)
O3 N2 C10 C29 -178.3(4)
O3 N2 C10 C9 1.9(5)
C23 C9 C10 N2 104.2(5)
C6 C9 C10 N2 -17.3(5)
C23 C9 C10 C29 -75.6(5)
C6 C9 C10 C29 162.9(4)
C8 C7 C11 C12 -47.9(6)
C2 C7 C11 C12 68.5(6)
C8 C7 C11 C16 134.9(5)
C2 C7 C11 C16 -108.8(5)
C16 C11 C12 C13 -0.2(8)
C7 C11 C12 C13 -177.4(5)
C11 C12 C13 C14 0.6(9)
C12 C13 C14 C15 -0.6(11)
C12 C13 C14 Cl1 179.2(5)
C13 C14 C15 C16 0.3(11)
Cl1 C14 C15 C16 -179.5(4)
C14 C15 C16 C11 0.1(10)
C12 C11 C16 C15 -0.2(8)
C7 C11 C16 C15 177.2(5)
N1 C8 C17 C22 114.4(6)
C7 C8 C17 C22 -63.9(7)
N1 C8 C17 C18 -67.1(7)
C7 C8 C17 C18 114.7(6)
C22 C17 C18 C19 -1.0(8)
C8 C17 C18 C19 -179.6(5)
C22 C17 C18 Cl2 178.8(4)
C8 C17 C18 Cl2 0.2(7)
C17 C18 C19 C20 1.8(9)
Cl2 C18 C19 C20 -178.1(5)
C18 C19 C20 C21 -1.0(10)
C19 C20 C21 C22 -0.5(10)
C20 C21 C22 C17 1.2(10)
C20 C21 C22 Cl3 -175.7(5)
C18 C17 C22 C21 -0.5(8)
C8 C17 C22 C21 178.2(5)
C18 C17 C22 Cl3 176.4(4)
C8 C17 C22 Cl3 -5.0(7)
C10 C9 C23 C28 -41.2(6)
C6 C9 C23 C28 70.0(5)
C10 C9 C23 C24 140.0(4)
C6 C9 C23 C24 -108.7(5)
C28 C23 C24 C25 2.5(6)
C9 C23 C24 C25 -178.7(4)
C23 C24 C25 C26 1.2(6)
C24 C25 C26 C27 -4.7(7)
C24 C25 C26 Cl4 175.9(3)
C25 C26 C27 C28 4.4(7)
Cl4 C26 C27 C28 -176.1(3)
C26 C27 C28 C23 -0.6(7)
C24 C23 C28 C27 -2.8(7)
C9 C23 C28 C27 178.5(4)
N2 C10 C29 C30 110.2(5)
C9 C10 C29 C30 -70.1(6)
N2 C10 C29 C34 -68.9(6)
C9 C10 C29 C34 110.9(5)
C34 C29 C30 C31 -1.5(8)
C10 C29 C30 C31 179.4(5)
C34 C29 C30 Cl5 177.8(4)
C10 C29 C30 Cl5 -1.3(7)
C29 C30 C31 C32 0.6(9)
Cl5 C30 C31 C32 -178.7(5)
C30 C31 C32 C33 -0.2(10)
C31 C32 C33 C34 0.7(10)
C32 C33 C34 C29 -1.7(9)
C32 C33 C34 Cl6 178.2(5)
C30 C29 C34 C33 2.0(7)
C10 C29 C34 C33 -178.9(5)
C30 C29 C34 Cl6 -177.9(4)
C10 C29 C34 Cl6 1.1(7)
