#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006551.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_2006551
loop_
_publ_author_name
'Muneer, M.'
'Rath, N. P.'
'George, M. V.'
_publ_section_title
;
 Photoproducts Derived from 9-Substituted Dibenzobarrelenes
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1475
_journal_page_last               1478
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C31 H22 O3'
_chemical_formula_weight         442.49
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 97.8270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.81440(10)
_cell_length_b                   9.14810(10)
_cell_length_c                   27.8748(3)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      2.0
_cell_volume                     2226.74(4)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1995)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Siemens SMART'
_diffrn_measurement_method       '\w scans'
_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  0.045
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            15746
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.33
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    none
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.01
_refine_ls_goodness_of_fit_obs   1.07
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         4319
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_restrained_S_obs      1.07
_refine_ls_R_factor_all          0.084
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.0
_refine_ls_shift/esd_mean        0.0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.0495P)^2^+0.7533P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.128
_refine_ls_wR_factor_obs         0.104
_reflns_number_observed          2896
_reflns_number_total             4380
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    bk1278.cif
_[local]_cod_data_source_block   2a
_[local]_cod_cif_authors_sg_H-M  'P 1 21/1 c'
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2006551
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 0.0585(9) 0.0530(9) 0.0605(10) 0.0159(8) 0.0152(7) 0.0163(7)
O2 0.1051(15) 0.1010(14) 0.0519(10) -0.0631(12) 0.0246(10) -0.0158(10)
O3 0.0879(13) 0.0603(10) 0.0403(9) -0.0064(9) 0.0004(8) -0.0023(8)
C1 0.0436(12) 0.0541(14) 0.0493(12) -0.0047(10) 0.0020(9) 0.0110(10)
C2 0.0460(13) 0.0542(14) 0.078(2) 0.0029(11) 0.0053(12) 0.0218(13)
C3 0.0499(13) 0.0382(12) 0.095(2) 0.0059(10) 0.0180(13) 0.0077(13)
C4 0.0454(12) 0.0435(12) 0.0686(15) -0.0014(10) 0.0150(11) -0.0053(11)
C4a 0.0291(10) 0.0380(11) 0.0500(12) -0.0032(8) 0.0104(8) 0.0006(9)
C4b 0.0343(10) 0.0402(11) 0.0375(10) -0.0006(8) 0.0066(8) -0.0035(8)
C4c 0.0340(10) 0.0438(11) 0.0400(10) -0.0014(9) 0.0017(8) 0.0027(9)
C5 0.0442(12) 0.0502(13) 0.0575(13) -0.0067(10) -0.0008(10) -0.0007(10)
C6 0.0437(13) 0.0598(15) 0.081(2) -0.0158(11) -0.0021(12) 0.0087(13)
C7 0.0372(12) 0.070(2) 0.078(2) -0.0061(11) 0.0116(11) 0.0193(14)
C8 0.0423(12) 0.0631(15) 0.0550(13) 0.0017(11) 0.0123(10) 0.0078(11)
C8a 0.0326(10) 0.0497(12) 0.0438(11) 0.0001(9) 0.0057(8) 0.0055(9)
C8b 0.0405(11) 0.0423(11) 0.0383(10) 0.0044(9) 0.0100(8) -0.0013(9)
C8c 0.0328(10) 0.0385(10) 0.0336(10) -0.0001(8) 0.0056(8) -0.0009(8)
C8d 0.0363(10) 0.0393(11) 0.0333(10) -0.0054(8) 0.0055(8) 0.0006(8)
C8e 0.0301(10) 0.0428(11) 0.0439(11) -0.0057(8) 0.0056(8) 0.0041(9)
C9 0.0519(13) 0.0548(13) 0.0436(12) -0.0083(10) 0.0101(10) -0.0105(10)
C10 0.0430(11) 0.0398(11) 0.0326(10) 0.0018(9) 0.0028(8) -0.0001(8)
C11 0.0445(11) 0.0408(11) 0.0320(10) -0.0048(9) 0.0061(8) 0.0004(8)
C12 0.0636(15) 0.0509(13) 0.0538(13) 0.0024(11) 0.0152(11) 0.0134(11)
C13 0.074(2) 0.070(2) 0.073(2) -0.0105(15) 0.0280(14) 0.0288(14)
C14 0.0505(14) 0.088(2) 0.0583(15) -0.0108(13) 0.0182(11) 0.0150(13)
C15 0.0428(12) 0.068(2) 0.0492(12) 0.0008(11) 0.0067(10) 0.0088(11)
C16 0.0428(12) 0.0471(12) 0.0422(11) -0.0043(10) 0.0071(9) 0.0057(9)
C17 0.0464(12) 0.0480(12) 0.0410(11) -0.0116(10) 0.0075(9) 0.0002(9)
C18 0.0436(11) 0.0458(12) 0.0377(11) -0.0002(9) 0.0067(9) -0.0018(9)
C19 0.0541(13) 0.0664(15) 0.0436(12) -0.0079(11) 0.0086(10) 0.0002(10)
C20 0.065(2) 0.083(2) 0.0529(14) -0.0032(14) 0.0227(12) 0.0069(13)
C21 0.087(2) 0.070(2) 0.0436(13) 0.0186(15) 0.0194(13) -0.0037(12)
C22 0.086(2) 0.063(2) 0.0462(13) -0.0014(14) 0.0070(13) -0.0179(12)
C23 0.0597(14) 0.0563(14) 0.0471(13) -0.0077(11) 0.0092(10) -0.0118(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
O1 0.4328(2) 0.0169(2) 0.17353(5) 0.0567(4) Uani d . 1 O
O2 0.1492(2) 0.0873(2) 0.06819(6) 0.0847(6) Uani d . 1 O
O3 0.4766(2) 0.3222(2) 0.24558(6) 0.0636(5) Uani d . 1 O
H3 0.503(4) 0.370(3) 0.2710(10) 0.103(11) Uiso d . 1 H
C1 0.1968(2) 0.5130(2) 0.04391(8) 0.0494(5) Uani d . 1 C
H1a 0.1756 0.4688 0.01368 0.059 Uiso calc R 1 H
C2 0.1523(3) 0.6557(3) 0.05088(10) 0.0596(6) Uani d . 1 C
H2a 0.0996 0.7074 0.02509 0.072 Uiso calc R 1 H
C3 0.1847(3) 0.7223(2) 0.09534(10) 0.0602(6) Uani d . 1 C
H3b 0.1523 0.8177 0.09942 0.072 Uiso calc R 1 H
C4 0.2650(2) 0.6486(2) 0.13399(9) 0.0518(6) Uani d . 1 C
H4a 0.2898 0.6949 0.16374 0.062 Uiso calc R 1 H
C4a 0.3082(2) 0.5053(2) 0.12793(7) 0.0385(4) Uani d . 1 C
C4b 0.4100(2) 0.4061(2) 0.16323(7) 0.0372(4) Uani d . 1 C
C4c 0.5714(2) 0.4448(2) 0.15257(7) 0.0396(5) Uani d . 1 C
C5 0.6675(2) 0.5561(2) 0.17167(8) 0.0514(5) Uani d . 1 C
H5a 0.6428 0.6131 0.19713 0.062 Uiso calc R 1 H
C6 0.8014(3) 0.5808(3) 0.15198(10) 0.0625(7) Uani d . 1 C
H6a 0.8692 0.6526 0.16525 0.075 Uiso calc R 1 H
C7 0.8356(3) 0.5006(3) 0.11311(9) 0.0612(6) Uani d . 1 C
H7a 0.9244 0.5214 0.0998 0.073 Uiso calc R 1 H
C8 0.7403(2) 0.3897(3) 0.09355(8) 0.0529(6) Uani d . 1 C
H8a 0.7632 0.3362 0.06710 0.064 Uiso calc R 1 H
C8a 0.6090(2) 0.3604(2) 0.11451(7) 0.0420(5) Uani d . 1 C
C8b 0.4951(2) 0.2428(2) 0.10339(7) 0.0399(5) Uani d . 1 C
H8ba 0.5320 0.1462 0.09510 0.048 Uiso calc R 1 H
C8c 0.3822(2) 0.2505(2) 0.13937(6) 0.0348(4) Uani d . 1 C
C8d 0.3243(2) 0.2812(2) 0.08629(6) 0.0362(4) Uani d . 1 C
C8e 0.2738(2) 0.4370(2) 0.08305(7) 0.0389(5) Uani d . 1 C
C9 0.3849(3) 0.4233(2) 0.21587(7) 0.0498(5) Uani d . 1 C
H9a 0.410 0.5221 0.22663 0.060 Uiso calc R 1 H
H9b 0.2777 0.4069 0.21875 0.060 Uiso calc R 1 H
C10 0.3403(2) 0.1167(2) 0.16630(6) 0.0387(4) Uani d . 1 C
C11 0.1868(2) 0.1061(2) 0.18250(6) 0.0390(5) Uani d . 1 C
C12 0.1496(3) -0.0169(2) 0.20770(8) 0.0554(6) Uani d . 1 C
H12a 0.2229 -0.0889 0.2160 0.067 Uiso calc R 1 H
C13 0.0050(3) -0.0328(3) 0.22033(9) 0.0710(7) Uani d . 1 C
H13a -0.0196 -0.1168 0.23639 0.085 Uiso calc R 1 H
C14 -0.1033(3) 0.0745(3) 0.20939(9) 0.0647(7) Uani d . 1 C
H14a -0.2005 0.0636 0.21832 0.078 Uiso calc R 1 H
C15 -0.0675(2) 0.1975(3) 0.18531(8) 0.0533(6) Uani d . 1 C
H15a -0.1399 0.2711 0.17846 0.064 Uiso calc R 1 H
C16 0.0757(2) 0.2125(2) 0.17116(7) 0.0439(5) Uani d . 1 C
H16a 0.097 0.2948 0.15384 0.053 Uiso calc R 1 H
C17 0.2411(2) 0.1687(2) 0.05334(7) 0.0450(5) Uani d . 1 C
C18 0.2762(2) 0.1576(2) 0.00286(7) 0.0422(5) Uani d . 1 C
C19 0.3926(3) 0.2384(3) -0.01354(8) 0.0545(6) Uani d . 1 C
H19a 0.4495 0.304 0.00709 0.065 Uiso calc R 1 H
C20 0.4238(3) 0.2211(3) -0.06039(9) 0.0656(7) Uani d . 1 C
H20a 0.5028 0.2740 -0.07109 0.079 Uiso calc R 1 H
C21 0.3383(3) 0.1260(3) -0.09127(8) 0.0658(7) Uani d . 1 C
H21a 0.3599 0.1146 -0.12280 0.079 Uiso calc R 1 H
C22 0.2219(3) 0.0483(3) -0.07587(8) 0.0650(7) Uani d . 1 C
H22a 0.1633 -0.0146 -0.09710 0.078 Uiso calc R 1 H
C23 0.1909(3) 0.0627(3) -0.02906(8) 0.0542(6) Uani d . 1 C
H23a 0.1122 0.0085 -0.01870 0.065 Uiso calc R 1 H
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'
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
C2 C1 C8e 118.6(2) ?
C3 C2 C1 121.1(2) ?
C2 C3 C4 120.5(2) ?
C3 C4 C4a 119.2(2) ?
C4 C4a C8e 120.3(2) ?
C4 C4a C4b 129.0(2) ?
C8e C4a C4b 110.3(2) yes
C9 C4b C4c 115.1(2) ?
C9 C4b C4a 114.1(2) ?
C4c C4b C4a 102.48(15) yes
C9 C4b C8c 117.7(2) ?
C4c C4b C8c 102.81(15) yes
C4a C4b C8c 102.69(14) yes
C5 C4c C8a 120.4(2) ?
C5 C4c C4b 129.1(2) ?
C8a C4c C4b 110.1(2) yes
C4c C5 C6 118.5(2) ?
C7 C6 C5 121.0(2) ?
C6 C7 C8 121.0(2) ?
C7 C8 C8a 118.2(2) ?
C4c C8a C8 120.8(2) ?
C4c C8a C8b 109.9(2) yes
C8 C8a C8b 129.3(2) yes
C8a C8b C8c 108.6(2) yes
C8a C8b C8d 120.1(2) yes
C8c C8b C8d 59.62(12) yes
C10 C8c C8b 121.4(2) ?
C10 C8c C8d 124.1(2) ?
C8b C8c C8d 61.77(12) yes
C10 C8c C4b 123.88(15) ?
C8b C8c C4b 104.13(15) yes
C8d C8c C4b 104.82(14) yes
C8e C8d C17 120.0(2) ?
C8e C8d C8c 106.99(15) yes
C17 C8d C8c 122.6(2) ?
C8e C8d C8b 120.1(2) yes
C17 C8d C8b 113.8(2) ?
C8c C8d C8b 58.61(12) yes
C1 C8e C4a 120.2(2) ?
C1 C8e C8d 129.4(2) ?
C4a C8e C8d 110.3(2) yes
O3 C9 C4b 110.5(2) ?
O1 C10 C11 121.0(2) ?
O1 C10 C8c 119.1(2) ?
C11 C10 C8c 119.9(2) ?
C16 C11 C12 118.4(2) ?
C16 C11 C10 121.9(2) ?
C12 C11 C10 119.6(2) ?
C13 C12 C11 120.4(2) ?
C14 C13 C12 120.5(2) ?
C15 C14 C13 119.8(2) ?
C14 C15 C16 120.2(2) ?
C15 C16 C11 120.7(2) ?
O2 C17 C18 121.1(2) ?
O2 C17 C8d 120.3(2) ?
C18 C17 C8d 118.6(2) ?
C23 C18 C19 118.7(2) ?
C23 C18 C17 119.0(2) ?
C19 C18 C17 122.2(2) ?
C20 C19 C18 120.0(2) ?
C21 C20 C19 120.2(2) ?
C22 C21 C20 120.3(2) ?
C21 C22 C23 120.2(2) ?
C22 C23 C18 120.5(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C10 1.222(2) ?
O2 C17 1.214(2) ?
O3 C9 1.418(3) ?
C1 C2 1.385(3) ?
C1 C8e 1.390(3) ?
C2 C3 1.376(3) ?
C3 C4 1.381(3) ?
C4 C4a 1.382(3) ?
C4a C8e 1.394(3) yes
C4a C4b 1.535(3) yes
C4b C9 1.522(3) ?
C4b C4c 1.534(3) yes
C4b C8c 1.576(3) yes
C4C C5 1.384(3) ?
C4c C8a 1.388(3) yes
C5 C6 1.386(3) ?
C6 C7 1.375(3) ?
C7 C8 1.381(3) ?
C8 C8a 1.391(3) ?
C8a C8b 1.475(3) yes
C8b C8c 1.508(3) yes
C8b C8d 1.556(3) yes
C8c C10 1.508(3) ?
C8c C8d 1.524(2) yes
C8d C8e 1.492(3) yes
C8d C17 1.502(3) ?
C10 C11 1.487(3) ?
C11 C16 1.386(3) ?
C11 C12 1.389(3) ?
C12 C13 1.375(3) ?
C13 C14 1.375(4) ?
C14 C15 1.369(3) ?
C15 C16 1.379(3) ?
C17 C18 1.485(3) ?
C18 C23 1.389(3) ?
C18 C19 1.391(3) ?
C19 C20 1.379(3) ?
C20 C21 1.374(3) ?
C21 C22 1.365(3) ?
C22 C23 1.375(3) ?
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
C8e C1 C2 C3 0.7(3)
C1 C2 C3 C4 1.1(3)
C2 C3 C4 C4a -2.1(3)
C3 C4 C4a C8e 1.3(3)
C3 C4 C4a C4b 173.5(2)
C4 C4a C4b C9 39.0(3)
C8e C4a C4b C9 -148.2(2)
C4 C4a C4b C4c -86.0(2)
C8e C4a C4b C4c 86.8(2)
C4 C4a C4b C8c 167.6(2)
C8e C4a C4b C8c -19.6(2)
C9 C4b C4c C5 -38.3(3)
C4a C4b C4c C5 86.1(2)
C8c C4b C4c C5 -167.6(2)
C9 C4b C4c C8a 149.1(2)
C4a C4b C4c C8a -86.5(2)
C8c C4b C4c C8a 19.8(2)
C8a C4c C5 C6 -0.1(3)
C4b C4c C5 C6 -172.1(2)
C4c C5 C6 C7 2.5(3)
C5 C6 C7 C8 -2.2(4)
C6 C7 C8 C8a -0.5(3)
C5 C4c C8a C8 -2.7(3)
C4b C4c C8a C8 170.7(2)
C5 C4c C8a C8b 175.6(2)
C4b C4c C8a C8b -11.0(2)
C7 C8 C8a C4c 3.0(3)
C7 C8 C8a C8b -175.0(2)
C4c C8a C8b C8c -3.2(2)
C8 C8a C8b C8c 174.9(2)
C4c C8a C8b C8d 61.9(2)
C8 C8a C8b C8d -120.0(2)
C8a C8b C8c C10 -130.6(2)
C8d C8b C8c C10 114.7(2)
C8a C8b C8c C8d 114.7(2)
C8d C8b C8c C8d 0.0
C8a C8b C8c C4b 15.2(2)
C8d C8b C8c C4b -99.45(15)
C9 C4b C8c C10 -3.3(3)
C4c C4b C8c C10 124.3(2)
C4a C4b C8c C10 -129.5(2)
C9 C4b C8c C8b -148.1(2)
C4c C4b C8c C8b -20.5(2)
C4a C4b C8c C8b 85.7(2)
C9 C4b C8c C8d 147.9(2)
C4c C4b C8c C8d -84.5(2)
C4a C4b C8c C8d 21.7(2)
C10 C8c C8d C8e 134.1(2)
C8b C8c C8d C8e -115.4(2)
C4b C8c C8d C8e -17.1(2)
C10 C8c C8d C17 -10.7(3)
C8b C8c C8d C17 99.9(2)
C4b C8c C8d C17 -161.8(2)
C10 C8c C8d C8b -110.6(2)
C8b C8c C8d C8b 0.0
C4b C8c C8d C8b 98.3(2)
C8a C8b C8d C8e -2.6(3)
C8c C8b C8d C8e 92.4(2)
C8a C8b C8d C17 150.2(2)
C8c C8b C8d C17 -114.8(2)
C8a C8b C8d C8c -95.0(2)
C8c C8b C8d C8c 0.0
C2 C1 C8e C4a -1.5(3)
C2 C1 C8e C8d 175.3(2)
C4 C4a C8e C1 0.5(3)
C4b C4a C8e C1 -173.0(2)
C4 C4a C8e C8d -176.9(2)
C4b C4a C8e C8d 9.6(2)
C17 C8d C8e C1 -26.1(3)
C8c C8d C8e C1 -171.9(2)
C8b C8d C8e C1 125.0(2)
C17 C8d C8e C4a 151.0(2)
C8c C8d C8e C4a 5.2(2)
C8b C8d C8e C4a -57.9(2)
C4c C4b C9 O3 -65.3(2)
C4a C4b C9 O3 176.6(2)
C8c C4b C9 O3 56.2(2)
C8b C8c C10 O1 27.0(3)
C8d C8c C10 O1 102.2(2)
C4b C8c C10 O1 -112.0(2)
C8b C8c C10 C11 -151.4(2)
C8d C8c C10 C11 -76.2(2)
C4b C8c C10 C11 69.6(2)
O1 C10 C11 C16 -174.5(2)
C8c C10 C11 C16 3.9(3)
O1 C10 C11 C12 2.2(3)
C8c C10 C11 C12 -179.4(2)
C16 C11 C12 C13 0.9(3)
C10 C11 C12 C13 -175.9(2)
C11 C12 C13 C14 -1.8(4)
C12 C13 C14 C15 0.7(4)
C13 C14 C15 C16 1.3(4)
C14 C15 C16 C11 -2.2(3)
C12 C11 C16 C15 1.1(3)
C10 C11 C16 C15 177.9(2)
C8e C8d C17 O2 -101.4(2)
C8c C8d C17 O2 39.0(3)
C8b C8d C17 O2 105.8(2)
C8e C8d C17 C18 80.0(2)
C8c C8d C17 C18 -139.7(2)
C8b C8d C17 C18 -72.9(2)
O2 C17 C18 C23 6.7(3)
C8d C17 C18 C23 -174.6(2)
O2 C17 C18 C19 -172.9(2)
C8d C17 C18 C19 5.8(3)
C23 C18 C19 C20 -1.5(3)
C17 C18 C19 C20 178.1(2)
C18 C19 C20 C21 1.2(4)
C19 C20 C21 C22 0.1(4)
C20 C21 C22 C23 -1.1(4)
C21 C22 C23 C18 0.8(4)
C19 C18 C23 C22 0.5(3)
C17 C18 C23 C22 -179.1(2)