#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/79/4317918.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4317918
loop_
_publ_author_name
'Praveen Kommana'
'Sudha Kumaraswamy'
'J. J. Vittal'
'K. C. Kumara Swamy'
_publ_section_title
;
 Apical versus Equatorial Disposition of Substituents in
 Tetraoxyphosphoranes Bearing a 1,3,2-Dioxaphosphocin Ring: Implications
 on Apicophilicity in Trigonal Bipyramidal Phosphorus
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2356
_journal_page_last               2363
_journal_paper_doi               10.1021/ic010935w
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C30 H34 Cl6 N O4 P'
_chemical_formula_weight         716.25
_chemical_name_systematic
;

  ?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.89(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.718(11)
_cell_length_b                   17.009(11)
_cell_length_c                   19.877(9)
_cell_measurement_temperature    293(2)
_cell_volume                     6800(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.481
_diffrn_measured_fraction_theta_max 0.481
_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  0.0384
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6120
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         5955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0484
_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)+(0.0718P)²+9.6329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                3762
_reflns_number_total             5955
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010935w_3.cif
_cod_data_source_block           compd3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+9.6329P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+9.6329P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6800(6)
_cod_database_code               4317918
loop_
_symmetry_equiv_pos_as_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'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P P 0.29741(4) 0.41308(5) 0.03015(4) 0.0342(2) Uani 1 d . . .
Cl3 Cl 0.62077(4) 0.43752(6) 0.08281(5) 0.0565(3) Uani 1 d . . .
Cl4 Cl 0.51126(5) 0.31560(6) 0.01155(6) 0.0565(3) Uani 1 d . . .
Cl1 Cl 0.42865(5) 0.61711(6) 0.14850(6) 0.0654(3) Uani 1 d . . .
Cl2 Cl 0.58024(5) 0.58716(7) 0.15277(6) 0.0687(3) Uani 1 d . . .
O1 O 0.29809(11) 0.33910(13) 0.07994(12) 0.0390(5) Uani 1 d . . .
O4 O 0.37212(11) 0.37287(13) 0.01603(12) 0.0395(5) Uani 1 d . . .
O3 O 0.34069(11) 0.48779(13) 0.07003(12) 0.0388(5) Uani 1 d . . .
O2 O 0.23259(10) 0.45766(13) 0.04647(12) 0.0370(5) Uani 1 d . . .
N N 0.26843(18) 0.4071(2) -0.05266(16) 0.0424(7) Uani 1 d . . .
C1 C 0.25586(18) 0.32000(19) 0.12321(18) 0.0413(8) Uani 1 d . . .
C2 C 0.2856(2) 0.3036(2) 0.19300(19) 0.0498(9) Uani 1 d . . .
C3 C 0.2410(2) 0.2867(2) 0.2334(2) 0.0619(12) Uani 1 d . . .
H3 H 0.2583 0.2773 0.2804 0.074 Uiso 1 calc R . .
C4 C 0.1732(3) 0.2828(3) 0.2085(2) 0.0672(13) Uani 1 d . . .
C5 C 0.1474(2) 0.2931(2) 0.1383(2) 0.0583(11) Uani 1 d . . .
H5 H 0.1018 0.2879 0.1200 0.070 Uiso 1 calc R . .
C6 C 0.18867(19) 0.31116(19) 0.09443(19) 0.0443(9) Uani 1 d . . .
C7 C 0.15935(18) 0.3156(2) 0.0170(2) 0.0453(9) Uani 1 d . . .
H7A H 0.1937 0.3024 -0.0067 0.054 Uiso 1 calc R . .
H7B H 0.1246 0.2763 0.0045 0.054 Uiso 1 calc R . .
C8 C 0.13064(17) 0.3949(2) -0.00834(19) 0.0417(8) Uani 1 d . . .
C9 C 0.06574(19) 0.3997(2) -0.0484(2) 0.0516(10) Uani 1 d . . .
H9 H 0.0408 0.3540 -0.0593 0.062 Uiso 1 calc R . .
C10 C 0.03759(18) 0.4711(3) -0.0724(2) 0.0529(10) Uani 1 d . . .
C11 C 0.07547(19) 0.5372(2) -0.0550(2) 0.0522(10) Uani 1 d . . .
H11 H 0.0563 0.5853 -0.0707 0.063 Uiso 1 calc R . .
C12 C 0.14083(17) 0.5373(2) -0.01552(19) 0.0422(8) Uani 1 d . . .
C13 C 0.16744(16) 0.4634(2) 0.00591(18) 0.0385(8) Uani 1 d . . .
C14 C 0.3611(2) 0.3015(3) 0.2232(2) 0.0613(11) Uani 1 d . . .
C15 C 0.3890(3) 0.3852(3) 0.2289(2) 0.0755(14) Uani 1 d . . .
H15A H 0.4366 0.3833 0.2442 0.113 Uiso 1 calc R . .
H15B H 0.3713 0.4145 0.2616 0.113 Uiso 1 calc R . .
H15C H 0.3767 0.4103 0.1844 0.113 Uiso 1 calc R . .
C16 C 0.3954(3) 0.2497(4) 0.1789(3) 0.0869(16) Uani 1 d . . .
H16A H 0.4410 0.2418 0.2027 0.130 Uiso 1 calc R . .
H16B H 0.3933 0.2752 0.1353 0.130 Uiso 1 calc R . .
H16C H 0.3732 0.1998 0.1709 0.130 Uiso 1 calc R . .
C17 C 0.3789(3) 0.2653(3) 0.2964(2) 0.0820(15) Uani 1 d . . .
H17A H 0.3624 0.2123 0.2944 0.123 Uiso 1 calc R . .
H17B H 0.3589 0.2958 0.3267 0.123 Uiso 1 calc R . .
H17C H 0.4263 0.2650 0.3138 0.123 Uiso 1 calc R . .
C18 C 0.1284(3) 0.2654(4) 0.2569(3) 0.103(2) Uani 1 d . . .
H18A H 0.1433 0.2184 0.2827 0.155 Uiso 1 calc R . .
H18B H 0.0835 0.2582 0.2303 0.155 Uiso 1 calc R . .
H18C H 0.1299 0.3086 0.2884 0.155 Uiso 1 calc R . .
C19 C -0.0327(2) 0.4757(3) -0.1170(3) 0.0820(15) Uani 1 d . . .
H19A H -0.0610 0.4997 -0.0911 0.123 Uiso 1 calc R . .
H19B H -0.0485 0.4237 -0.1308 0.123 Uiso 1 calc R . .
H19C H -0.0331 0.5066 -0.1575 0.123 Uiso 1 calc R . .
C20 C 0.17918(19) 0.6150(2) 0.0015(2) 0.0528(10) Uani 1 d . . .
C21 C 0.1341(2) 0.6867(3) -0.0215(4) 0.0898(18) Uani 1 d . . .
H21A H 0.1166 0.6851 -0.0708 0.135 Uiso 1 calc R . .
H21B H 0.1594 0.7340 -0.0091 0.135 Uiso 1 calc R . .
H21C H 0.0980 0.6857 0.0012 0.135 Uiso 1 calc R . .
C22 C 0.2352(2) 0.6186(3) -0.0374(3) 0.0666(12) Uani 1 d . . .
H22A H 0.2660 0.5765 -0.0219 0.100 Uiso 1 calc R . .
H22B H 0.2579 0.6681 -0.0281 0.100 Uiso 1 calc R . .
H22C H 0.2164 0.6135 -0.0863 0.100 Uiso 1 calc R . .
C23 C 0.2090(2) 0.6229(3) 0.0799(3) 0.0713(13) Uani 1 d . . .
H23A H 0.1738 0.6243 0.1037 0.107 Uiso 1 calc R . .
H23B H 0.2344 0.6706 0.0890 0.107 Uiso 1 calc R . .
H23C H 0.2374 0.5788 0.0959 0.107 Uiso 1 calc R . .
C24 C 0.40807(16) 0.48250(19) 0.07772(17) 0.0353(7) Uani 1 d . . .
C25 C 0.45383(17) 0.5358(2) 0.11102(18) 0.0415(8) Uani 1 d . . .
C26 C 0.52087(17) 0.5210(2) 0.11331(18) 0.0432(8) Uani 1 d . . .
C27 C 0.53853(16) 0.4542(2) 0.08219(17) 0.0402(8) Uani 1 d . . .
C28 C 0.49057(17) 0.3996(2) 0.04915(17) 0.0385(8) Uani 1 d . . .
C29 C 0.42517(16) 0.41591(19) 0.04656(17) 0.0349(7) Uani 1 d . . .
Cl5 Cl 0.35641(11) -0.00329(14) 0.20231(11) 0.1411(8) Uani 1 d . . .
Cl6 Cl 0.24773(11) 0.07621(18) 0.23686(10) 0.1598(10) Uani 1 d . . .
C30 C 0.2970(5) -0.0034(4) 0.2511(5) 0.161(4) Uani 1 d . . .
H30A H 0.2697 -0.0502 0.2400 0.193 Uiso 1 calc R . .
H30B H 0.3193 -0.0057 0.2999 0.193 Uiso 1 calc R . .
H1N H 0.228(2) 0.420(2) -0.071(2) 0.049(11) Uiso 1 d . . .
H2N H 0.290(2) 0.390(2) -0.077(2) 0.050(13) Uiso 1 d . . .
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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 P N 121.85(15) . . ?
O1 P O2 97.32(12) . . ?
N P O2 96.25(17) . . ?
O1 P O3 112.76(13) . . ?
N P O3 124.48(15) . . ?
O2 P O3 85.70(12) . . ?
O1 P O4 85.19(12) . . ?
N P O4 86.54(16) . . ?
O2 P O4 174.46(12) . . ?
O3 P O4 88.77(11) . . ?
C1 O1 P 130.3(2) . . ?
C29 O4 P 111.7(2) . . ?
C24 O3 P 115.2(2) . . ?
C13 O2 P 129.8(2) . . ?
P N H1N 120(3) . . ?
P N H2N 122(3) . . ?
H1N N H2N 118(4) . . ?
C6 C1 C2 123.2(3) . . ?
C6 C1 O1 119.1(3) . . ?
C2 C1 O1 117.4(3) . . ?
C3 C2 C1 114.6(4) . . ?
C3 C2 C14 121.6(4) . . ?
C1 C2 C14 123.8(3) . . ?
C4 C3 C2 124.4(4) . . ?
C4 C3 H3 117.8 . . ?
C2 C3 H3 117.8 . . ?
C3 C4 C5 118.2(4) . . ?
C3 C4 C18 120.6(5) . . ?
C5 C4 C18 121.1(5) . . ?
C4 C5 C6 120.8(4) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 118.3(4) . . ?
C1 C6 C7 122.3(3) . . ?
C5 C6 C7 119.3(4) . . ?
C8 C7 C6 114.4(3) . . ?
C8 C7 H7A 108.7 . . ?
C6 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
C6 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C13 C8 C9 118.5(3) . . ?
C13 C8 C7 122.0(3) . . ?
C9 C8 C7 119.5(3) . . ?
C10 C9 C8 121.3(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C11 C10 C9 117.8(3) . . ?
C11 C10 C19 121.2(4) . . ?
C9 C10 C19 121.0(4) . . ?
C10 C11 C12 124.4(4) . . ?
C10 C11 H11 117.8 . . ?
C12 C11 H11 117.8 . . ?
C11 C12 C13 115.4(3) . . ?
C11 C12 C20 120.5(3) . . ?
C13 C12 C20 124.1(3) . . ?
C8 C13 C12 122.5(3) . . ?
C8 C13 O2 117.8(3) . . ?
C12 C13 O2 119.6(3) . . ?
C15 C14 C2 109.8(4) . . ?
C15 C14 C16 110.9(4) . . ?
C2 C14 C16 110.9(4) . . ?
C15 C14 C17 107.6(4) . . ?
C2 C14 C17 111.6(4) . . ?
C16 C14 C17 105.9(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C4 C18 H18A 109.5 . . ?
C4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C10 C19 H19A 109.5 . . ?
C10 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C10 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C12 C20 C21 111.8(3) . . ?
C12 C20 C23 111.0(3) . . ?
C21 C20 C23 107.4(4) . . ?
C12 C20 C22 109.6(3) . . ?
C21 C20 C22 107.3(4) . . ?
C23 C20 C22 109.7(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 O3 125.6(3) . . ?
C25 C24 C29 122.8(3) . . ?
O3 C24 C29 111.6(3) . . ?
C24 C25 C26 117.7(3) . . ?
C24 C25 Cl1 120.0(3) . . ?
C26 C25 Cl1 122.3(3) . . ?
C27 C26 C25 119.9(3) . . ?
C27 C26 Cl2 120.4(3) . . ?
C25 C26 Cl2 119.6(3) . . ?
C26 C27 C28 121.3(3) . . ?
C26 C27 Cl3 119.9(3) . . ?
C28 C27 Cl3 118.9(3) . . ?
C29 C28 C27 117.8(3) . . ?
C29 C28 Cl4 120.0(3) . . ?
C27 C28 Cl4 122.2(3) . . ?
O4 C29 C28 127.0(3) . . ?
O4 C29 C24 112.4(3) . . ?
C28 C29 C24 120.5(3) . . ?
Cl6 C30 Cl5 112.8(4) . . ?
Cl6 C30 H30A 109.0 . . ?
Cl5 C30 H30A 109.0 . . ?
Cl6 C30 H30B 109.0 . . ?
Cl5 C30 H30B 109.0 . . ?
H30A C30 H30B 107.8 . . ?
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
P O1 1.599(2) . ?
P N 1.614(3) . ?
P O2 1.641(2) . ?
P O3 1.645(2) . ?
P O4 1.775(2) . ?
Cl3 C27 1.724(3) . ?
Cl4 C28 1.714(3) . ?
Cl1 C25 1.710(4) . ?
Cl2 C26 1.712(4) . ?
O1 C1 1.404(4) . ?
O4 C29 1.339(4) . ?
O3 C24 1.370(4) . ?
O2 C13 1.400(4) . ?
N H1N 0.86(4) . ?
N H2N 0.77(4) . ?
C1 C6 1.380(5) . ?
C1 C2 1.404(5) . ?
C2 C3 1.393(6) . ?
C2 C14 1.535(6) . ?
C3 C4 1.374(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(6) . ?
C4 C18 1.519(6) . ?
C5 C6 1.394(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.514(5) . ?
C7 C8 1.512(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C13 1.384(5) . ?
C8 C9 1.391(5) . ?
C9 C10 1.382(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(6) . ?
C10 C19 1.514(6) . ?
C11 C12 1.393(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.397(5) . ?
C12 C20 1.537(5) . ?
C14 C15 1.529(6) . ?
C14 C16 1.536(6) . ?
C14 C17 1.541(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.537(6) . ?
C20 C23 1.539(6) . ?
C20 C22 1.541(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.363(5) . ?
C24 C29 1.377(5) . ?
C25 C26 1.402(5) . ?
C26 C27 1.385(5) . ?
C27 C28 1.402(5) . ?
C28 C29 1.372(5) . ?
Cl5 C30 1.740(9) . ?
Cl6 C30 1.679(9) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
loop_
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1 ChemSpider 30661055
