#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006552.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_2006552
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                 92.9340(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.77530(10)
_cell_length_b                   9.25670(10)
_cell_length_c                   28.1011(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      2.0
_cell_volume                     2279.67(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         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_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            17324
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    none
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.06
_refine_ls_goodness_of_fit_obs   1.12
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4484
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.06
_refine_ls_restrained_S_obs      1.12
_refine_ls_R_factor_all          0.068
_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^)+(0.0460P)^2^+0.7746P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.118
_refine_ls_wR_factor_obs         0.107
_reflns_number_observed          3415
_reflns_number_total             4494
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    bk1278.cif
_[local]_cod_data_source_block   2b
_[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               2006552
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 0.0556(7) 0.0542(8) 0.0374(6) -0.0044(6) 0.0088(5) 0.0049(6)
O2 0.0683(9) 0.0486(8) 0.1031(12) -0.0175(7) 0.0341(8) -0.0194(8)
O3 0.077(3) 0.061(4) 0.042(3) 0.031(3) 0.010(2) -0.001(3)
O3' 0.110(8) 0.171(13) 0.087(6) 0.107(9) 0.052(5) 0.069(6)
C1 0.0409(10) 0.0629(12) 0.0521(11) 0.0041(9) 0.0008(8) -0.0125(9)
C2 0.0447(11) 0.0614(13) 0.077(2) -0.0022(10) 0.0008(10) -0.0288(12)
C3 0.0464(11) 0.0439(11) 0.091(2) -0.0038(9) 0.0107(11) -0.0140(11)
C4 0.0442(10) 0.0419(10) 0.0654(12) -0.0001(8) 0.0082(9) 0.0007(9)
C4a 0.0310(8) 0.0414(9) 0.0474(10) 0.0028(7) 0.0082(7) -0.0039(8)
C4b 0.0376(8) 0.0385(9) 0.0367(9) -0.0001(7) 0.0060(7) 0.0006(7)
C4c 0.0361(8) 0.0419(9) 0.0434(9) 0.0011(7) -0.0021(7) -0.0031(8)
C5 0.0501(11) 0.0506(11) 0.0630(12) 0.0069(9) -0.0064(9) 0.0047(9)
C6 0.0450(11) 0.0544(12) 0.090(2) 0.0145(10) -0.0119(11) -0.0076(12)
C7 0.0357(10) 0.0643(13) 0.0823(15) 0.0086(9) 0.0016(9) -0.0199(12)
C8 0.0387(9) 0.0627(12) 0.0541(11) -0.0007(9) 0.0073(8) -0.0100(9)
C8a 0.0333(8) 0.0482(10) 0.0415(9) 0.0004(7) 0.0017(7) -0.0060(8)
C8b 0.0379(9) 0.0430(9) 0.0413(9) -0.0018(7) 0.0076(7) 0.0018(7)
C8c 0.0343(8) 0.0388(9) 0.0374(8) 0.0002(7) 0.0048(7) 0.0013(7)
C8d 0.0341(8) 0.0452(10) 0.0373(9) 0.0050(7) 0.0052(6) -0.0001(7)
C8e 0.0295(8) 0.0449(10) 0.0449(9) 0.0042(7) 0.0037(7) -0.0068(8)
C9 0.0446(9) 0.0372(9) 0.0478(10) -0.0022(8) 0.0078(8) -0.0016(8)
C10 0.0423(9) 0.0413(9) 0.0401(9) 0.0025(8) 0.0053(7) -0.0033(7)
C11 0.0589(12) 0.0630(14) 0.083(2) -0.0097(11) 0.0199(11) -0.0325(12)
C12 0.0687(15) 0.086(2) 0.102(2) -0.0059(13) 0.0333(13) -0.053(2)
C13 0.0489(11) 0.0789(15) 0.0674(13) 0.0027(11) 0.0202(10) -0.0176(12)
C14 0.0408(10) 0.0563(12) 0.0580(11) -0.0025(9) 0.0074(8) -0.0068(9)
C15 0.0431(9) 0.0439(10) 0.0473(10) 0.0005(8) 0.0073(8) -0.0083(8)
C16 0.0435(10) 0.0604(12) 0.0464(10) 0.0142(9) 0.0062(8) 0.0038(9)
C17 0.0415(9) 0.0502(10) 0.0427(10) 0.0033(8) 0.0049(7) 0.0040(8)
C18 0.0548(11) 0.0626(13) 0.0529(11) 0.0106(10) 0.0075(9) 0.0124(10)
C19 0.0742(14) 0.0672(14) 0.0509(12) -0.0008(12) 0.0047(10) 0.0175(10)
C20 0.0735(14) 0.0761(15) 0.0433(11) -0.0215(12) 0.0155(10) -0.0010(10)
C21 0.0558(12) 0.092(2) 0.0564(13) 0.0036(12) 0.0181(10) -0.0104(12)
C22 0.0474(10) 0.0723(14) 0.0478(11) 0.0129(10) 0.0039(8) -0.0018(10)
C23 0.088(2) 0.0768(15) 0.0397(11) -0.0049(13) -0.0009(10) -0.0053(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_disorder_group
_atom_site_type_symbol
O1 0.16290(14) 0.89799(14) 0.29613(4) 0.0489(3) Uani d . 1 . O
O2 0.1183(2) 0.4910(2) 0.34006(6) 0.0723(5) Uani d . 1 . O
O3 0.3477(10) 0.5600(8) 0.4366(3) 0.060(2) Uani d PD 0.58(5) 1 O
O3' 0.380(3) 0.601(4) 0.4373(5) 0.121(6) Uani d PD 0.42(5) 2 O
C1 0.3039(2) 1.0008(2) 0.45850(7) 0.0520(5) Uani d . 1 . C
H1a 0.3173 0.9609 0.48880 0.062 Uiso calc R 1 . H
C2 0.3495(2) 1.1409(2) 0.44979(8) 0.0612(6) Uani d . 1 . C
H2a 0.3944 1.1953 0.47457 0.073 Uiso calc R 1 . H
C3 0.3299(2) 1.2015(2) 0.40509(9) 0.0603(6) Uani d . 1 . C
H3a 0.3638 1.2951 0.39986 0.072 Uiso calc R 1 . H
C4 0.2599(2) 1.1239(2) 0.36788(7) 0.0503(5) Uani d . 1 . C
H4a 0.2432 1.1655 0.33794 0.060 Uiso calc R 1 . H
C4a 0.2155(2) 0.9832(2) 0.37623(6) 0.0397(4) Uani d . 1 . C
C4b 0.1229(2) 0.8824(2) 0.34354(6) 0.0375(4) Uani d . 1 . C
C4c -0.0425(2) 0.9192(2) 0.35376(6) 0.0406(4) Uani d . 1 . C
C5 -0.1333(2) 1.0288(2) 0.33483(7) 0.0549(5) Uani d . 1 . C
H5a -0.1005 1.0859 0.31012 0.066 Uiso calc R 1 . H
C6 -0.2745(2) 1.0520(2) 0.35350(9) 0.0638(6) Uani d . 1 . C
H6a -0.3389 1.1229 0.34035 0.077 Uiso calc R 1 . H
C7 -0.3204(2) 0.9712(2) 0.39120(8) 0.0608(6) Uani d . 1 . C
H7a -0.4141 0.9904 0.40391 0.073 Uiso calc R 1 . H
C8 -0.2299(2) 0.8623(2) 0.41048(7) 0.0516(5) Uani d . 1 . C
H8a -0.2612 0.8082 0.43610 0.062 Uiso calc R 1 . H
C8a -0.0907(2) 0.8350(2) 0.39081(6) 0.0410(4) Uani d . 1 . C
C8b 0.0235(2) 0.7225(2) 0.40310(6) 0.0405(4) Uani d . 1 . C
H8ba -0.0131 0.6269 0.41225 0.049 Uiso calc R 1 . H
C8c 0.1466(2) 0.7299(2) 0.36801(6) 0.0367(4) Uani d . 1 . C
C8d 0.1896(2) 0.7662(2) 0.41960(6) 0.0388(4) Uani d . 1 . C
C8e 0.2376(2) 0.9208(2) 0.42106(6) 0.0397(4) Uani d . 1 . C
C9 0.2005(2) 0.5966(2) 0.34280(6) 0.0430(4) Uani d . 1 . C
C10 0.3509(2) 0.5961(2) 0.32112(6) 0.0411(4) Uani d . 1 . C
C11 0.3875(2) 0.4810(2) 0.29229(8) 0.0679(6) Uani d . 1 . C
H11a 0.3174 0.4070 0.28643 0.081 Uiso calc R 1 . H
C12 0.5272(3) 0.4760(3) 0.27233(9) 0.0844(8) Uani d . 1 . C
H12a 0.5507 0.3986 0.25293 0.101 Uiso calc R 1 . H
C13 0.6319(2) 0.5835(3) 0.28069(8) 0.0645(6) Uani d . 1 . C
H13a 0.7258 0.5794 0.26684 0.077 Uiso calc R 1 . H
C14 0.5983(2) 0.6967(2) 0.30942(7) 0.0515(5) Uani d . 1 . C
H14a 0.6700 0.7693 0.31547 0.062 Uiso calc R 1 . H
C15 0.4580(2) 0.7038(2) 0.32955(6) 0.0446(4) Uani d . 1 . C
H15a 0.4355 0.7816 0.34891 0.053 Uiso calc R 1 . H
C16 0.2680(2) 0.6571(2) 0.45206(7) 0.0499(5) Uani d D 1 . C
C17 0.2290(2) 0.6545(2) 0.50269(6) 0.0447(4) Uani d . 1 . C
C18 0.3159(2) 0.5700(2) 0.53455(7) 0.0566(5) Uani d . 1 . C
H18a 0.3983 0.5183 0.52389 0.068 Uiso calc R 1 . H
C19 0.2817(3) 0.5618(2) 0.58162(7) 0.0640(6) Uani d . 1 . C
H19a 0.3418 0.5059 0.60271 0.077 Uiso calc R 1 . H
C20 0.1596(3) 0.6356(3) 0.59743(7) 0.0639(6) Uani d . 1 . C
H20a 0.1356 0.6288 0.62920 0.077 Uiso calc R 1 . H
C21 0.0722(2) 0.7201(3) 0.56650(8) 0.0674(6) Uani d . 1 . C
H21a -0.0111 0.7702 0.57740 0.081 Uiso calc R 1 . H
C22 0.1072(2) 0.7309(2) 0.51943(7) 0.0558(5) Uani d . 1 . C
H22a 0.0489 0.7898 0.49882 0.067 Uiso calc R 1 . H
C23 0.0688(3) 0.8203(3) 0.26193(7) 0.0682(6) Uani d . 1 . C
H23a 0.1040 0.8370 0.23061 0.102 Uiso calc R 1 . H
H23b -0.0348 0.8528 0.26319 0.102 Uiso calc R 1 . H
H23c 0.0739 0.7189 0.26901 0.102 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
C4b O1 C23 115.03(14) ?
C2 C1 C8e 118.7(2) ?
C3 C2 C1 121.3(2) ?
C2 C3 C4 120.4(2) ?
C4a C4 C3 118.5(2) ?
C4 C4a C8e 121.2(2) ?
C4 C4a C4b 128.6(2) yes
C8e C4a C4b 109.79(14) yes
O1 C4b C4a 111.11(13) ?
O1 C4b C4c 116.13(14) ?
C4a C4b C4c 103.50(13) yes
O1 C4b C8c 118.14(13) ?
C4a C4b C8c 103.42(13) yes
C4c C4b C8c 102.80(13) yes
C5 C4c C8a 120.8(2) ?
C5 C4c C4b 128.7(2) ?
C8a C4c C4b 110.18(14) yes
C4c C5 C6 118.5(2) ?
C7 C6 C5 120.7(2) ?
C6 C7 C8 121.1(2) ?
C7 C8 C8a 118.5(2) ?
C4c C8a C8 120.4(2) ?
C4c C8a C8b 110.09(14) yes
C8 C8a C8b 129.5(2) ?
C8a C8b C8c 108.51(14) yes
C8a C8b C8d 120.03(15) yes
C8c C8b C8d 59.39(10) yes
C8b C8c C9 121.61(14) ?
C8b C8c C8d 62.22(11) yes
C9 C8c C8d 124.10(14) ?
C8b C8c C4b 104.10(13) yes
C9 C8c C4b 124.29(13) ?
C8d C8c C4b 103.81(13) yes
C8e C8d C16 120.49(15) ?
C8e C8d C8c 107.14(14) yes
C16 C8d C8c 121.00(15) ?
C8e C8d C8b 121.01(14) yes
C16 C8d C8b 113.46(15) ?
C8c C8d C8b 58.39(10) yes
C1 C8e C4a 119.8(2) ?
C1 C8e C8d 129.7(2) ?
C4a C8e C8d 110.35(14) yes
O2 C9 C10 120.6(2) ?
O2 C9 C8c 119.23(15) ?
C10 C9 C8c 120.16(14) ?
C15 C10 C11 118.6(2) ?
C15 C10 C9 122.63(15) ?
C11 C10 C9 118.8(2) ?
C12 C11 C10 120.2(2) ?
C13 C12 C11 120.7(2) ?
C14 C13 C12 119.8(2) ?
C13 C14 C15 120.1(2) ?
C10 C15 C14 120.5(2) ?
O3' C16 C17 123.9(6) ?
O3 C16 C17 119.4(4) ?
O3' C16 C8d 115.8(9) ?
O3 C16 C8d 121.7(4) ?
C17 C16 C8d 118.23(15) ?
C22 C17 C18 118.5(2) ?
C22 C17 C16 122.6(2) ?
C18 C17 C16 118.9(2) ?
C19 C18 C17 120.9(2) ?
C20 C19 C18 120.0(2) ?
C19 C20 C21 120.1(2) ?
C20 C21 C22 120.3(2) ?
C21 C22 C17 120.2(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C4b 1.402(2) ?
O1 C23 1.429(2) ?
O2 C9 1.215(2) ?
O3 C16 1.232(7) ?
O3' C16 1.203(11) ?
C1 C2 1.383(3) ?
C1 C8e 1.390(2) ?
C2 C3 1.379(3) ?
C3 C4 1.386(3) ?
C4 C4a 1.383(2) ?
C4a C8e 1.391(2) yes
C4a C4b 1.516(2) yes
C4b C4c 1.532(2) yes
C4b C8c 1.580(2) yes
C4c C5 1.380(2) ?
C4c C8a 1.384(2) yes
C5 C6 1.387(3) ?
C6 C7 1.374(3) ?
C7 C8 1.377(3) ?
C8 C8a 1.389(2) ?
C8a C8b 1.474(2) yes
C8b C8c 1.501(2) yes
C8b C8d 1.559(2) yes
C8c C9 1.510(2) ?
C8c C8d 1.517(2) yes
C8d C8e 1.492(2) yes
C8d C16 1.503(2) ?
C9 C10 1.482(2) ?
C10 C15 1.382(2) ?
C10 C11 1.386(3) ?
C11 C12 1.374(3) ?
C12 C13 1.366(3) ?
C13 C14 1.365(3) ?
C14 C15 1.383(2) ?
C16 C17 1.480(2) ?
C17 C22 1.384(3) ?
C17 C18 1.387(3) ?
C18 C19 1.373(3) ?
C19 C20 1.364(3) ?
C20 C21 1.374(3) ?
C21 C22 1.377(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 0.2(3)
C1 C2 C3 C4 1.6(3)
C2 C3 C4 C4a -2.3(3)
C3 C4 C4a C8e 1.1(2)
C3 C4 C4a C4b 172.8(2)
C23 O1 C4b C4a -172.7(2)
C23 O1 C4b C4c -54.8(2)
C23 O1 C4b C8c 68.1(2)
C4 C4a C4b O1 38.7(2)
C8e C4a C4b O1 -148.88(14)
C4 C4a C4b C4c -86.6(2)
C8e C4a C4b C4c 85.8(2)
C4 C4a C4b C8c 166.4(2)
C8e C4a C4b C8c -21.2(2)
O1 C4b C4c C5 -38.4(3)
C4a C4b C4c C5 83.6(2)
C8c C4b C4c C5 -168.9(2)
O1 C4b C4c C8a 148.92(15)
C4a C4b C4c C8a -89.1(2)
C8c C4b C4c C8a 18.4(2)
C8a C4c C5 C6 -0.6(3)
C4b C4c C5 C6 -172.6(2)
C4c C5 C6 C7 2.5(3)
C5 C6 C7 C8 -2.1(3)
C6 C7 C8 C8a -0.3(3)
C5 C4c C8a C8 -1.8(3)
C4b C4c C8a C8 171.6(2)
C5 C4c C8a C8b 177.7(2)
C4b C4c C8a C8b -8.9(2)
C7 C8 C8a C4c 2.2(3)
C7 C8 C8a C8b -177.2(2)
C4c C8a C8b C8c -5.1(2)
C8 C8a C8b C8c 174.3(2)
C4c C8a C8b C8d 59.6(2)
C8 C8a C8b C8d -120.9(2)
C8a C8b C8c C9 -130.6(2)
C8d C8b C8c C9 114.8(2)
C8a C8b C8c C8d 114.5(2)
C8d C8b C8c C8d 0.0
C8a C8b C8c C4b 16.1(2)
C8d C8b C8c C4b -98.39(13)
O1 C4b C8c C8b -149.57(14)
C4a C4b C8c C8b 87.24(14)
C4c C4b C8c C8b -20.2(2)
O1 C4b C8c C9 -3.9(2)
C4a C4b C8c C9 -127.1(2)
C4c C4b C8c C9 125.4(2)
O1 C4b C8c C8d 146.09(13)
C4a C4b C8c C8d 22.90(15)
C4c C4b C8c C8d -84.57(14)
C8b C8c C8d C8e -116.31(14)
C9 C8c C8d C8e 132.7(2)
C4b C8c C8d C8e -17.4(2)
C8b C8c C8d C16 100.1(2)
C9 C8c C8d C16 -10.9(2)
C4b C8c C8d C16 -161.02(14)
C8b C8c C8d C8b 0.0
C9 C8c C8d C8b -111.0(2)
C4b C8c C8d C8b 98.86(13)
C8a C8b C8d C8e -2.9(2)
C8c C8b C8d C8e 91.9(2)
C8a C8b C8d C16 152.09(15)
C8c C8b C8d C16 -113.1(2)
C8a C8b C8d C8c -94.8(2)
C8c C8b C8d C8c 0.0
C2 C1 C8e C4a -1.3(2)
C2 C1 C8e C8d 174.9(2)
C4 C4a C8e C1 0.7(2)
C4b C4a C8e C1 -172.37(14)
C4 C4a C8e C8d -176.21(15)
C4b C4a C8e C8d 10.7(2)
C16 C8d C8e C1 -27.8(2)
C8c C8d C8e C1 -171.6(2)
C8b C8d C8e C1 125.5(2)
C16 C8d C8e C4a 148.73(15)
C8c C8d C8e C4a 4.9(2)
C8b C8d C8e C4a -58.0(2)
C8b C8c C9 O2 20.7(3)
C8d C8c C9 O2 96.6(2)
C4b C8c C9 O2 -119.3(2)
C8b C8c C9 C10 -160.2(2)
C8d C8c C9 C10 -84.3(2)
C4b C8c C9 C10 59.8(2)
O2 C9 C10 C15 -169.6(2)
C8c C9 C10 C15 11.3(3)
O2 C9 C10 C11 8.6(3)
C8c C9 C10 C11 -170.5(2)
C15 C10 C11 C12 -0.6(3)
C9 C10 C11 C12 -178.8(2)
C10 C11 C12 C13 0.3(4)
C11 C12 C13 C14 0.5(4)
C12 C13 C14 C15 -0.8(3)
C11 C10 C15 C14 0.2(3)
C9 C10 C15 C14 178.4(2)
C13 C14 C15 C10 0.5(3)
C8e C8d C16 O3' -88.(3)
C8c C8d C16 O3' 51.(3)
C8b C8d C16 O3' 117.(3)
C8e C8d C16 O3 -112.3(5)
C8c C8d C16 O3 26.5(5)
C8b C8d C16 O3 92.6(5)
C8e C8d C16 C17 76.9(2)
C8c C8d C16 C17 -144.2(2)
C8b C8d C16 C17 -78.2(2)
O3' C16 C17 C22 174.(3)
O3 C16 C17 C22 -160.3(5)
C8d C16 C17 C22 10.7(3)
O3' C16 C17 C18 -8.(3)
O3 C16 C17 C18 18.5(5)
C8d C16 C17 C18 -170.5(2)
C22 C17 C18 C19 0.3(3)
C16 C17 C18 C19 -178.5(2)
C17 C18 C19 C20 0.9(3)
C18 C19 C20 C21 -1.0(3)
C19 C20 C21 C22 -0.1(3)
C20 C21 C22 C17 1.3(3)
C18 C17 C22 C21 -1.4(3)
C16 C17 C22 C21 177.4(2)