#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/51/2225188.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_2225188
loop_
_publ_author_name
'Li, De-Ling'
'Wang, Li-Hong'
_publ_section_title
12-(4-Chlorophenyl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-one
_journal_coeditor_code           BV2134
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o547
_journal_paper_doi               10.1107/S1600536810004125
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C25 H21 Cl O2'
_chemical_formula_moiety         'C25 H21 Cl O2'
_chemical_formula_sum            'C25 H21 Cl O2'
_chemical_formula_weight         388.87
_chemical_name_systematic
;12-(4-Chlorophenyl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthen-
11(12H)-one
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.04(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.293(2)
_cell_length_b                   11.621(2)
_cell_length_c                   16.447(3)
_cell_measurement_reflns_used    5755
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.829
_cell_measurement_theta_min      2.146
_cell_volume                     1967.3(6)
_computing_cell_refinement       'Crystalclear (Rigaku/MSC, 2005)'
_computing_data_collection       'Crystalclear (Rigaku/MSC, 2005)'
_computing_data_reduction        'Crystalclear (Rigaku/MSC, 2005)'
_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      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn CCD area-detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_sigmaI/netI    0.0873
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15871
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.85
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.212
_exptl_absorpt_correction_T_max  0.9832
_exptl_absorpt_correction_T_min  0.9668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Crystalclear; Rigaku/MSC, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.500
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4667
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0530
_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)+(0.0704P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1218
_refine_ls_wR_factor_ref         0.1357
_reflns_number_gt                2863
_reflns_number_total             4667
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bv2134.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'Monoclinic' changed to 'monoclinic'
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        1967.3(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2225188
_cod_database_fobs_code          2225188
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_disorder_assembly
_atom_site_disorder_group
Cl Cl1 0.73445(5) 0.84810(5) 1.12407(3) 0.03409(17) Uani d . 1 . .
O O1 0.32484(13) 0.87906(11) 0.73299(7) 0.0238(3) Uani d . 1 . .
O O2 0.25555(13) 0.57878(11) 0.92168(7) 0.0263(3) Uani d . 1 . .
C C1 0.44337(19) 0.83375(16) 0.70869(10) 0.0209(4) Uani d . 1 . .
C C2 0.4964(2) 0.88806(17) 0.63881(10) 0.0245(4) Uani d . 1 . .
H H2 0.4497 0.9473 0.6117 0.029 Uiso calc R 1 . .
C C3 0.6149(2) 0.85411(17) 0.61122(11) 0.0257(5) Uani d . 1 . .
H H3 0.6517 0.8917 0.5654 0.031 Uiso calc R 1 . .
C C4 0.68478(19) 0.76365(17) 0.64948(10) 0.0241(4) Uani d . 1 . .
C C5 0.8075(2) 0.72738(18) 0.62115(11) 0.0290(5) Uani d . 1 . .
H H5 0.8463 0.7659 0.5764 0.035 Uiso calc R 1 . .
C C6 0.8714(2) 0.63750(19) 0.65724(11) 0.0302(5) Uani d . 1 . .
H H6 0.9544 0.6146 0.6378 0.036 Uiso calc R 1 . .
C C7 0.8141(2) 0.57895(18) 0.72317(11) 0.0287(5) Uani d . 1 . .
H H7 0.8577 0.5153 0.7471 0.034 Uiso calc R 1 . .
C C8 0.6959(2) 0.61332(17) 0.75303(11) 0.0244(4) Uani d . 1 . .
H H8 0.6596 0.5739 0.7982 0.029 Uiso calc R 1 . .
C C9 0.62679(18) 0.70654(16) 0.71777(10) 0.0215(4) Uani d . 1 . .
C C10 0.50399(18) 0.74502(16) 0.74811(10) 0.0199(4) Uani d . 1 . .
C C11 0.44318(18) 0.69161(16) 0.82395(10) 0.0202(4) Uani d . 1 . .
H H11 0.4478 0.6059 0.8194 0.024 Uiso calc R 1 . .
C C12 0.30257(18) 0.72721(16) 0.82882(10) 0.0202(4) Uani d . 1 . .
C C13 0.21423(19) 0.66017(16) 0.88135(10) 0.0211(4) Uani d . 1 . .
C C14 0.07188(19) 0.69208(17) 0.88032(11) 0.0261(4) Uani d . 1 . .
H H14A 0.0309 0.6643 0.9311 0.031 Uiso calc R 1 . .
H H14B 0.0292 0.6524 0.8342 0.031 Uiso calc R 1 . .
C C15 0.0482(2) 0.82193(17) 0.87251(11) 0.0260(5) Uani d . 1 . .
C C16 0.11871(19) 0.86281(17) 0.79483(11) 0.0248(4) Uani d . 1 . .
H H16A 0.0684 0.8377 0.7467 0.030 Uiso calc R 1 . .
H H16B 0.1215 0.9480 0.7945 0.030 Uiso calc R 1 . .
C C17 0.25322(19) 0.81783(16) 0.78815(10) 0.0216(4) Uani d . 1 . .
C C18 -0.0967(2) 0.8461(2) 0.86518(14) 0.0378(6) Uani d . 1 . .
H H18A -0.1110 0.9294 0.8622 0.057 Uiso calc R 1 . .
H H18B -0.1418 0.8149 0.9128 0.057 Uiso calc R 1 . .
H H18C -0.1305 0.8095 0.8158 0.057 Uiso calc R 1 . .
C C19 0.1024(2) 0.88391(19) 0.94769(12) 0.0323(5) Uani d . 1 . .
H H19A 0.0891 0.9670 0.9419 0.048 Uiso calc R 1 . .
H H19B 0.1955 0.8677 0.9528 0.048 Uiso calc R 1 . .
H H19C 0.0571 0.8565 0.9964 0.048 Uiso calc R 1 . .
C C20 0.51814(18) 0.72951(16) 0.90026(10) 0.0196(4) Uani d . 1 . .
C C21 0.53737(19) 0.84537(16) 0.91539(10) 0.0217(4) Uani d . 1 . .
H H21 0.5033 0.9007 0.8785 0.026 Uiso calc R 1 . .
C C22 0.60548(19) 0.88237(17) 0.98344(10) 0.0227(4) Uani d . 1 . .
H H22 0.6193 0.9620 0.9930 0.027 Uiso calc R 1 . .
C C23 0.65267(18) 0.80068(18) 1.03694(10) 0.0235(4) Uani d . 1 . .
C C24 0.63531(19) 0.68441(18) 1.02455(11) 0.0261(4) Uani d . 1 . .
H H24 0.6684 0.6298 1.0622 0.031 Uiso calc R 1 . .
C C25 0.5679(2) 0.64900(17) 0.95526(11) 0.0245(4) Uani d . 1 . .
H H25 0.5556 0.5692 0.9454 0.029 Uiso calc R 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
_geom_angle_publ_flag
C17 O1 C1 . . 117.88(15) ?
C10 C1 O1 . . 123.37(16) ?
C10 C1 C2 . . 122.89(18) ?
O1 C1 C2 . . 113.74(17) ?
C3 C2 C1 . . 119.07(18) ?
C3 C2 H2 . . 120.5 ?
C1 C2 H2 . . 120.5 ?
C2 C3 C4 . . 121.38(17) ?
C2 C3 H3 . . 119.3 ?
C4 C3 H3 . . 119.3 ?
C5 C4 C3 . . 121.86(17) ?
C5 C4 C9 . . 119.55(19) ?
C3 C4 C9 . . 118.58(18) ?
C6 C5 C4 . . 120.98(18) ?
C6 C5 H5 . . 119.5 ?
C4 C5 H5 . . 119.5 ?
C5 C6 C7 . . 120.03(19) ?
C5 C6 H6 . . 120.0 ?
C7 C6 H6 . . 120.0 ?
C8 C7 C6 . . 120.4(2) ?
C8 C7 H7 . . 119.8 ?
C6 C7 H7 . . 119.8 ?
C7 C8 C9 . . 121.35(18) ?
C7 C8 H8 . . 119.3 ?
C9 C8 H8 . . 119.3 ?
C8 C9 C10 . . 122.59(16) ?
C8 C9 C4 . . 117.64(17) ?
C10 C9 C4 . . 119.76(18) ?
C1 C10 C9 . . 118.22(16) ?
C1 C10 C11 . . 120.41(16) ?
C9 C10 C11 . . 121.34(16) ?
C12 C11 C10 . . 109.01(15) ?
C12 C11 C20 . . 111.06(14) ?
C10 C11 C20 . . 110.16(15) ?
C12 C11 H11 . . 108.9 ?
C10 C11 H11 . . 108.9 ?
C20 C11 H11 . . 108.9 ?
C17 C12 C13 . . 118.09(17) ?
C17 C12 C11 . . 123.37(17) ?
C13 C12 C11 . . 118.54(16) ?
O2 C13 C12 . . 120.53(18) ?
O2 C13 C14 . . 121.94(17) ?
C12 C13 C14 . . 117.47(16) ?
C13 C14 C15 . . 113.33(16) ?
C13 C14 H14A . . 108.9 ?
C15 C14 H14A . . 108.9 ?
C13 C14 H14B . . 108.9 ?
C15 C14 H14B . . 108.9 ?
H14A C14 H14B . . 107.7 ?
C18 C15 C14 . . 110.08(17) ?
C18 C15 C19 . . 109.41(17) ?
C14 C15 C19 . . 109.66(16) ?
C18 C15 C16 . . 109.79(17) ?
C14 C15 C16 . . 107.30(16) ?
C19 C15 C16 . . 110.58(17) ?
C17 C16 C15 . . 113.05(16) ?
C17 C16 H16A . . 109.0 ?
C15 C16 H16A . . 109.0 ?
C17 C16 H16B . . 109.0 ?
C15 C16 H16B . . 109.0 ?
H16A C16 H16B . . 107.8 ?
C12 C17 O1 . . 122.17(17) ?
C12 C17 C16 . . 126.17(17) ?
O1 C17 C16 . . 111.65(16) ?
C15 C18 H18A . . 109.5 ?
C15 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C15 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C15 C19 H19A . . 109.5 ?
C15 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C15 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C21 C20 C25 . . 118.86(17) ?
C21 C20 C11 . . 119.82(16) ?
C25 C20 C11 . . 121.32(17) ?
C20 C21 C22 . . 121.22(17) ?
C20 C21 H21 . . 119.4 ?
C22 C21 H21 . . 119.4 ?
C23 C22 C21 . . 118.53(18) ?
C23 C22 H22 . . 120.7 ?
C21 C22 H22 . . 120.7 ?
C24 C23 C22 . . 122.26(18) ?
C24 C23 Cl1 . . 119.47(14) ?
C22 C23 Cl1 . . 118.26(16) ?
C23 C24 C25 . . 118.30(17) ?
C23 C24 H24 . . 120.8 ?
C25 C24 H24 . . 120.8 ?
C24 C25 C20 . . 120.83(19) ?
C24 C25 H25 . . 119.6 ?
C20 C25 H25 . . 119.6 ?
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
Cl1 C23 . 1.7504(19) ?
O1 C17 . 1.369(2) ?
O1 C1 . 1.388(2) ?
O2 C13 . 1.231(2) ?
C1 C10 . 1.368(3) ?
C1 C2 . 1.420(3) ?
C2 C3 . 1.361(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.420(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.411(3) ?
C4 C9 . 1.435(2) ?
C5 C6 . 1.370(3) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.410(3) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.372(3) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.420(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.431(3) ?
C10 C11 . 1.528(2) ?
C11 C12 . 1.507(3) ?
C11 C20 . 1.537(2) ?
C11 H11 . 1.0000 ?
C12 C17 . 1.347(3) ?
C12 C13 . 1.477(3) ?
C13 C14 . 1.511(3) ?
C14 C15 . 1.534(3) ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
C15 C18 . 1.523(3) ?
C15 C19 . 1.536(3) ?
C15 C16 . 1.545(3) ?
C16 C17 . 1.484(3) ?
C16 H16A . 0.9900 ?
C16 H16B . 0.9900 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C18 H18C . 0.9800 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 C21 . 1.383(3) ?
C20 C25 . 1.398(2) ?
C21 C22 . 1.389(3) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.382(3) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.378(3) ?
C24 C25 . 1.396(3) ?
C24 H24 . 0.9500 ?
C25 H25 . 0.9500 ?
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
C24 H24 O2 3_667 0.95 2.56 3.376(2) 144.1
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C17 O1 C1 C10 . . . . -13.7(3) ?
C17 O1 C1 C2 . . . . 166.34(15) ?
C10 C1 C2 C3 . . . . -2.7(3) ?
O1 C1 C2 C3 . . . . 177.34(17) ?
C1 C2 C3 C4 . . . . 1.7(3) ?
C2 C3 C4 C5 . . . . 179.68(18) ?
C2 C3 C4 C9 . . . . 1.0(3) ?
C3 C4 C5 C6 . . . . -177.85(18) ?
C9 C4 C5 C6 . . . . 0.8(3) ?
C4 C5 C6 C7 . . . . 0.7(3) ?
C5 C6 C7 C8 . . . . -1.7(3) ?
C6 C7 C8 C9 . . . . 1.3(3) ?
C7 C8 C9 C10 . . . . -179.36(18) ?
C7 C8 C9 C4 . . . . 0.1(3) ?
C5 C4 C9 C8 . . . . -1.2(3) ?
C3 C4 C9 C8 . . . . 177.50(17) ?
C5 C4 C9 C10 . . . . 178.32(17) ?
C3 C4 C9 C10 . . . . -3.0(3) ?
O1 C1 C10 C9 . . . . -179.32(16) ?
C2 C1 C10 C9 . . . . 0.7(3) ?
O1 C1 C10 C11 . . . . -1.1(3) ?
C2 C1 C10 C11 . . . . 178.86(17) ?
C8 C9 C10 C1 . . . . -178.37(17) ?
C4 C9 C10 C1 . . . . 2.1(3) ?
C8 C9 C10 C11 . . . . 3.5(3) ?
C4 C9 C10 C11 . . . . -176.02(16) ?
C1 C10 C11 C12 . . . . 16.0(2) ?
C9 C10 C11 C12 . . . . -165.92(16) ?
C1 C10 C11 C20 . . . . -106.13(19) ?
C9 C10 C11 C20 . . . . 72.0(2) ?
C10 C11 C12 C17 . . . . -18.8(2) ?
C20 C11 C12 C17 . . . . 102.80(19) ?
C10 C11 C12 C13 . . . . 161.81(15) ?
C20 C11 C12 C13 . . . . -76.6(2) ?
C17 C12 C13 O2 . . . . -177.76(17) ?
C11 C12 C13 O2 . . . . 1.7(2) ?
C17 C12 C13 C14 . . . . 5.0(2) ?
C11 C12 C13 C14 . . . . -175.55(15) ?
O2 C13 C14 C15 . . . . 146.05(17) ?
C12 C13 C14 C15 . . . . -36.7(2) ?
C13 C14 C15 C18 . . . . 175.54(16) ?
C13 C14 C15 C19 . . . . -64.0(2) ?
C13 C14 C15 C16 . . . . 56.1(2) ?
C18 C15 C16 C17 . . . . -166.12(17) ?
C14 C15 C16 C17 . . . . -46.5(2) ?
C19 C15 C16 C17 . . . . 73.1(2) ?
C13 C12 C17 O1 . . . . -174.47(15) ?
C11 C12 C17 O1 . . . . 6.1(3) ?
C13 C12 C17 C16 . . . . 4.3(3) ?
C11 C12 C17 C16 . . . . -175.15(16) ?
C1 O1 C17 C12 . . . . 11.2(3) ?
C1 O1 C17 C16 . . . . -167.72(15) ?
C15 C16 C17 C12 . . . . 18.3(3) ?
C15 C16 C17 O1 . . . . -162.83(15) ?
C12 C11 C20 C21 . . . . -66.9(2) ?
C10 C11 C20 C21 . . . . 54.0(2) ?
C12 C11 C20 C25 . . . . 113.16(19) ?
C10 C11 C20 C25 . . . . -125.96(18) ?
C25 C20 C21 C22 . . . . 0.5(3) ?
C11 C20 C21 C22 . . . . -179.52(16) ?
C20 C21 C22 C23 . . . . -0.9(3) ?
C21 C22 C23 C24 . . . . 0.6(3) ?
C21 C22 C23 Cl1 . . . . -178.22(14) ?
C22 C23 C24 C25 . . . . 0.2(3) ?
Cl1 C23 C24 C25 . . . . 178.95(15) ?
C23 C24 C25 C20 . . . . -0.6(3) ?
C21 C20 C25 C24 . . . . 0.3(3) ?
C11 C20 C25 C24 . . . . -179.72(17) ?
