#------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/05/2010501.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_2010501
loop_
_publ_author_name
'Kabaleeswaran, V.'
'Malathi, R.'
'Rajan, S.S.'
'Suresh, G.'
'Narashiman, N.S.'
_publ_section_title
;
 Nimonol and 6-oxonimonol
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              82
_journal_page_last               84
_journal_paper_doi               10.1107/S0108270199011609
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C28 H36 O5'
_chemical_formula_weight         452.57
_chemical_name_common            nimonol
_chemical_name_systematic
;
 Nimonol
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00(2)
_cell_angle_beta                 113.86(2)
_cell_angle_gamma                90.00(2)
_cell_formula_units_Z            2
_cell_length_a                   10.087(3)
_cell_length_b                   11.044(3)
_cell_length_c                   12.342(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35
_cell_measurement_theta_min      14
_cell_volume                     1257.4(6)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP (Frenz, 1984)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Enraf Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  .038
_diffrn_reflns_av_sigmaI/netI    .0166
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3002
_diffrn_reflns_theta_max         71.97
_diffrn_reflns_theta_min         3.92
_diffrn_standards_decay_%        3
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .646
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             488
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         .21
_refine_diff_density_min         -.22
_refine_ls_extinction_coef       .0022(14)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         2612
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          .0645
_refine_ls_R_factor_gt           .0623
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1295P)²+0.1402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1941
_reflns_number_gt                2443
_reflns_number_total             2612
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bk1476.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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.1295P)^2^+0.1402P] 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^)+(0.1295P)^2^+0.1402P] 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        1257.3(6)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010501
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
O1 -.0721(6) .6257(5) .3588(4) .1109(15) Uani d . 1 . . O
O2 .2463(3) .2317(3) .5431(2) .0752(8) Uani d . 1 . . O
H2 .1971 .1960 .5721 .113 Uiso calc R 1 . . H
O3 .4098(2) .2294(2) .4128(2) .0555(6) Uani d . 1 . . O
O4 .5396(4) .0891(4) .5454(3) .0873(10) Uani d . 1 . . O
O5 .6962(5) .0809(5) -.0689(5) .1110(14) Uani d . 1 . . O
C1 .0816(4) .4812(4) .1878(3) .0628(9) Uani d . 1 . . C
H1 .1060 .4967 .1241 .075 Uiso calc R 1 . . H
C2 .0516(4) .5736(4) .2439(4) .0691(9) Uani d . 1 . . C
H2A .0595 .6526 .2210 .083 Uiso calc R 1 . . H
C3 .0069(5) .5519(4) .3404(4) .0705(10) Uani d . 1 . . C
C4 .0595(4) .4390(4) .4172(3) .0618(9) Uani d . 1 . . C
C5 .1441(3) .3549(3) .3642(3) .0528(7) Uani d . 1 . . C
H5 .2394 .3929 .3869 .063 Uiso calc R 1 . . H
C6 .1754(4) .2270(4) .4169(3) .0596(8) Uani d . 1 . . C
H6 .0843 .1820 .3936 .072 Uiso calc R 1 . . H
C7 .2776(4) .1595(3) .3736(3) .0560(7) Uani d . 1 . . C
H7 .2983 .0787 .4093 .067 Uiso calc R 1 . . H
C8 .2191(4) .1487(3) .2382(3) .0570(8) Uani d . 1 . . C
C9 .1792(4) .2769(3) .1843(3) .0544(7) Uani d . 1 . . C
H9 .2709 .3216 .2138 .065 Uiso calc R 1 . . H
C10 .0767(4) .3522(4) .2257(3) .0555(8) Uani d . 1 . . C
C26 .5303(4) .1860(4) .4999(4) .0651(9) Uani d . 1 . . C
C11 .1306(5) .2720(5) .0487(3) .0711(10) Uani d . 1 . . C
H11A .0397 .2282 .0145 .085 Uiso calc R 1 . . H
H11B .1128 .3540 .0179 .085 Uiso calc R 1 . . H
C12 .2376(6) .2133(7) .0093(4) .100(2) Uani d . 1 . . C
H12A .2709 .2740 -.0307 .120 Uiso calc R 1 . . H
H12B .1868 .1518 -.0488 .120 Uiso calc R 1 . . H
C13 .3704(4) .1546(3) .1043(3) .0534(7) Uani d . 1 . . C
C14 .3346(5) .0969(4) .2010(3) .0631(9) Uani d . 1 . . C
C15 .4117(9) -.0024(5) .2391(6) .117(3) Uani d . 1 . . C
H15 .4104 -.0493 .3013 .140 Uiso calc R 1 . . H
C16 .5019(9) -.0316(6) .1715(6) .114(3) Uani d . 1 . . C
H16A .5003 -.1176 .1549 .136 Uiso calc R 1 . . H
H16B .6015 -.0054 .2138 .136 Uiso calc R 1 . . H
C17 .4252(5) .0416(4) .0582(4) .0657(9) Uani d . 1 . . C
H17 .3394 -.0046 .0079 .079 Uiso calc R 1 . . H
C18 .4913(6) .2469(5) .1548(6) .0909(16) Uani d . 1 . . C
H18A .5114 .2816 .0917 .136 Uiso calc R 1 . . H
H18B .5769 .2080 .2103 .136 Uiso calc R 1 . . H
H18C .4620 .3097 .1943 .136 Uiso calc R 1 . . H
C19 -.0840(4) .3112(5) .1690(4) .0774(12) Uani d . 1 . . C
H19A -.0912 .2290 .1914 .116 Uiso calc R 1 . . H
H19B -.1192 .3165 .0843 .116 Uiso calc R 1 . . H
H19C -.1409 .3627 .1961 .116 Uiso calc R 1 . . H
C20 .5115(5) .0650(4) -.0130(4) .0660(9) Uani d . 1 . . C
C21 .6550(6) .0580(6) .0205(5) .0885(14) Uani d . 1 . . C
H21 .7197 .0394 .0972 .106 Uiso calc R 1 . . H
C22 .4568(7) .0955(6) -.1370(5) .0915(15) Uani d . 1 . . C
H22 .3605 .1071 -.1887 .110 Uiso calc R 1 . . H
C23 .5748(11) .1039(7) -.1626(7) .117(2) Uani d . 1 . . C
H23 .5712 .1234 -.2370 .140 Uiso calc R 1 . . H
C27 .6485(5) .2760(6) .5279(5) .0858(13) Uani d . 1 . . C
H27A .6127 .3463 .4789 .129 Uiso calc R 1 . . H
H27B .7269 .2412 .5132 .129 Uiso calc R 1 . . H
H27C .6825 .2989 .6098 .129 Uiso calc R 1 . . H
C28 .1637(5) .4903(5) .5381(4) .0771(11) Uani d . 1 . . C
H28A .2028 .4249 .5932 .116 Uiso calc R 1 . . H
H28B .1119 .5448 .5676 .116 Uiso calc R 1 . . H
H28C .2414 .5329 .5287 .116 Uiso calc R 1 . . H
C29 -.0671(5) .3782(6) .4347(5) .0847(13) Uani d . 1 . . C
H29A -.0327 .3074 .4832 .127 Uiso calc R 1 . . H
H29B -.1401 .3553 .3591 .127 Uiso calc R 1 . . H
H29C -.1077 .4337 .4728 .127 Uiso calc R 1 . . H
C30 .0917(6) .0560(5) .1977(5) .0808(12) Uani d . 1 . . C
H30A .0164 .0852 .2197 .121 Uiso calc R 1 . . H
H30B .1261 -.0206 .2351 .121 Uiso calc R 1 . . H
H30C .0540 .0466 .1132 .121 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 .0181 .0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0492 .0322 '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
C6 O2 H2 109.5 ?
C26 O3 C7 119.4(3) y
C23 O5 C21 105.5(5) y
C2 C1 C10 121.3(4) ?
C2 C1 H1 119.3 ?
C10 C1 H1 119.3 ?
C1 C2 C3 120.6(4) ?
C1 C2 H2A 119.7 ?
C3 C2 H2A 119.7 ?
O1 C3 C2 118.9(4) y
O1 C3 C4 121.2(4) y
C2 C3 C4 119.9(3) ?
C3 C4 C29 110.2(4) ?
C3 C4 C28 103.4(4) ?
C29 C4 C28 107.8(4) ?
C3 C4 C5 109.6(3) ?
C29 C4 C5 115.0(4) ?
C28 C4 C5 110.3(3) ?
C6 C5 C10 111.8(3) ?
C6 C5 C4 114.9(3) ?
C10 C5 C4 113.4(3) ?
C6 C5 H5 105.2 ?
C10 C5 H5 105.2 ?
C4 C5 H5 105.2 ?
O2 C6 C5 110.9(3) y
O2 C6 C7 106.7(3) y
C5 C6 C7 110.6(3) ?
O2 C6 H6 109.5 ?
C5 C6 H6 109.5 ?
C7 C6 H6 109.5 ?
O3 C7 C8 107.6(3) y
O3 C7 C6 106.5(3) y
C8 C7 C6 113.6(3) y
O3 C7 H7 109.7 ?
C8 C7 H7 109.7 ?
C6 C7 H7 109.7 ?
C14 C8 C7 110.6(3) ?
C14 C8 C9 108.1(3) ?
C7 C8 C9 108.4(3) ?
C14 C8 C30 106.8(3) ?
C7 C8 C30 107.8(3) ?
C9 C8 C30 115.2(3) ?
C11 C9 C8 110.4(3) ?
C11 C9 C10 114.3(3) ?
C8 C9 C10 115.9(3) ?
C11 C9 H9 105.0 ?
C8 C9 H9 105.0 ?
C10 C9 H9 105.0 ?
C1 C10 C19 107.2(3) ?
C1 C10 C5 105.5(3) ?
C19 C10 C5 114.3(3) ?
C1 C10 C9 107.0(3) ?
C19 C10 C9 113.9(3) ?
C5 C10 C9 108.4(3) ?
O4 C26 O3 124.7(4) y
O4 C26 C27 126.1(4) y
O3 C26 C27 109.2(4) y
C12 C11 C9 114.4(3) ?
C12 C11 H11A 108.7 ?
C9 C11 H11A 108.7 ?
C12 C11 H11B 108.7 ?
C9 C11 H11B 108.7 ?
H11A C11 H11B 107.6 ?
C11 C12 C13 117.3(3) ?
C11 C12 H12A 108.0 ?
C13 C12 H12A 108.0 ?
C11 C12 H12B 108.0 ?
C13 C12 H12B 108.0 ?
H12A C12 H12B 107.2 ?
C14 C13 C18 111.5(4) ?
C14 C13 C12 111.6(4) ?
C18 C13 C12 109.9(5) ?
C14 C13 C17 100.5(3) ?
C18 C13 C17 110.0(3) ?
C12 C13 C17 113.0(3) ?
C15 C14 C13 109.7(4) ?
C15 C14 C8 128.1(4) ?
C13 C14 C8 122.1(3) ?
C14 C15 C16 112.6(4) ?
C14 C15 H15 123.7 ?
C16 C15 H15 123.7 ?
C15 C16 C17 101.5(4) ?
C15 C16 H16A 111.5 ?
C17 C16 H16A 111.5 ?
C15 C16 H16B 111.5 ?
C17 C16 H16B 111.5 ?
H16A C16 H16B 109.3 ?
C20 C17 C16 115.6(4) ?
C20 C17 C13 117.0(3) ?
C16 C17 C13 102.2(3) ?
C20 C17 H17 107.1 ?
C16 C17 H17 107.1 ?
C13 C17 H17 107.1 ?
C13 C18 H18A 109.5 ?
C13 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C13 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 ?
C21 C20 C22 104.0(4) ?
C21 C20 C17 128.8(4) ?
C22 C20 C17 127.1(4) ?
C20 C21 O5 112.9(5) y
C20 C21 H21 123.5 ?
O5 C21 H21 123.5 ?
C23 C22 C20 105.6(6) ?
C23 C22 H22 127.2 ?
C20 C22 H22 127.2 ?
O5 C23 C22 111.9(5) y
O5 C23 H23 124.0 ?
C22 C23 H23 124.0 ?
C26 C27 H27A 109.5 ?
C26 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C26 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 109.5 ?
C4 C28 H28A 109.5 ?
C4 C28 H28B 109.5 ?
H28A C28 H28B 109.5 ?
C4 C28 H28C 109.5 ?
H28A C28 H28C 109.5 ?
H28B C28 H28C 109.5 ?
C4 C29 H29A 109.5 ?
C4 C29 H29B 109.5 ?
H29A C29 H29B 109.5 ?
C4 C29 H29C 109.5 ?
H29A C29 H29C 109.5 ?
H29B C29 H29C 109.5 ?
C8 C30 H30A 109.5 ?
C8 C30 H30B 109.5 ?
H30A C30 H30B 109.5 ?
C8 C30 H30C 109.5 ?
H30A C30 H30C 109.5 ?
H30B C30 H30C 109.5 ?
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
O1 C3 . 1.223(5) y
O2 C6 . 1.428(4) y
O2 H2 . .8200 ?
O3 C26 . 1.344(5) y
O3 C7 . 1.445(4) y
O4 C26 . 1.195(6) y
O5 C23 . 1.325(10) y
O5 C21 . 1.350(6) y
C1 C2 . 1.334(6) ?
C1 C10 . 1.506(6) ?
C1 H1 . .9300 ?
C2 C3 . 1.455(6) ?
C2 H2A . .9300 ?
C3 C4 . 1.526(6) ?
C4 C29 . 1.533(5) ?
C4 C28 . 1.543(6) ?
C4 C5 . 1.572(5) ?
C5 C6 . 1.534(5) ?
C5 C10 . 1.563(5) ?
C5 H5 . .9800 ?
C6 C7 . 1.533(5) ?
C6 H6 . .9800 ?
C7 C8 . 1.534(5) ?
C7 H7 . .9800 ?
C8 C14 . 1.526(5) ?
C8 C9 . 1.547(5) ?
C8 C30 . 1.558(5) ?
C9 C11 . 1.542(5) ?
C9 C10 . 1.565(5) ?
C9 H9 . .9800 ?
C10 C19 . 1.551(5) ?
C26 C27 . 1.482(7) ?
C11 C12 . 1.499(6) ?
C11 H11A . .9700 ?
C11 H11B . .9700 ?
C12 C13 . 1.523(5) ?
C12 H12A . .9700 ?
C12 H12B . .9700 ?
C13 C14 . 1.520(5) ?
C13 C18 . 1.516(6) ?
C13 C17 . 1.562(5) ?
C14 C15 . 1.316(6) ?
C15 C16 . 1.497(7) ?
C15 H15 . .9300 ?
C16 C17 . 1.527(7) ?
C16 H16A . .9700 ?
C16 H16B . .9700 ?
C17 C20 . 1.487(6) ?
C17 H17 . .9800 ?
C18 H18A . .9600 ?
C18 H18B . .9600 ?
C18 H18C . .9600 ?
C19 H19A . .9600 ?
C19 H19B . .9600 ?
C19 H19C . .9600 ?
C20 C21 . 1.338(7) ?
C20 C22 . 1.442(6) ?
C21 H21 . .9300 ?
C22 C23 . 1.353(10) ?
C22 H22 . .9300 ?
C23 H23 . .9300 ?
C27 H27A . .9600 ?
C27 H27B . .9600 ?
C27 H27C . .9600 ?
C28 H28A . .9600 ?
C28 H28B . .9600 ?
C28 H28C . .9600 ?
C29 H29A . .9600 ?
C29 H29B . .9600 ?
C29 H29C . .9600 ?
C30 H30A . .9600 ?
C30 H30B . .9600 ?
C30 H30C . .9600 ?
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_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O2 H2 O1 2_546 1.950(6) 2.768(6) 175(4) yes
C1 H1 O5 2_655 2.56(6) 3.325(7) 130(4) yes
C23 H23 O4 1_554 2.48(8) 3.472(9) 153(5) yes
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
_geom_torsion_publ_flag
C10 C1 C2 C3 -2.8(6) ?
C1 C2 C3 O1 -151.2(5) ?
C1 C2 C3 C4 29.2(6) ?
O1 C3 C4 C29 46.3(6) y
C2 C3 C4 C29 -134.2(4) ?
O1 C3 C4 C28 -68.7(5) y
C2 C3 C4 C28 110.9(4) ?
O1 C3 C4 C5 173.8(4) ?
C2 C3 C4 C5 -6.7(5) ?
C3 C4 C5 C6 -167.8(3) ?
C29 C4 C5 C6 -43.1(4) ?
C28 C4 C5 C6 79.0(4) ?
C3 C4 C5 C10 -37.6(4) ?
C29 C4 C5 C10 87.2(4) ?
C28 C4 C5 C10 -150.7(3) ?
C10 C5 C6 O2 175.8(3) ?
C4 C5 C6 O2 -53.1(4) y
C10 C5 C6 C7 57.7(4) ?
C4 C5 C6 C7 -171.3(3) ?
C26 O3 C7 C8 -128.7(3) ?
C26 O3 C7 C6 109.1(3) y
O2 C6 C7 O3 -60.4(4) y
C5 C6 C7 O3 60.2(3) ?
O2 C6 C7 C8 -178.7(3) ?
C5 C6 C7 C8 -58.1(4) ?
O3 C7 C8 C14 54.3(4) ?
C6 C7 C8 C14 172.0(3) ?
O3 C7 C8 C9 -64.0(4) ?
C6 C7 C8 C9 53.6(4) ?
O3 C7 C8 C30 170.7(3) ?
C6 C7 C8 C30 -71.6(4) ?
C14 C8 C9 C11 55.8(4) ?
C7 C8 C9 C11 175.7(3) ?
C30 C8 C9 C11 -63.5(4) ?
C14 C8 C9 C10 -172.3(3) ?
C7 C8 C9 C10 -52.4(4) ?
C30 C8 C9 C10 68.4(4) ?
C2 C1 C10 C19 82.2(5) ?
C2 C1 C10 C5 -40.0(5) ?
C2 C1 C10 C9 -155.3(4) ?
C6 C5 C10 C1 -168.4(3) ?
C4 C5 C10 C1 59.8(4) ?
C6 C5 C10 C19 74.1(4) ?
C4 C5 C10 C19 -57.7(4) ?
C6 C5 C10 C9 -54.1(4) ?
C4 C5 C10 C9 174.1(3) ?
C11 C9 C10 C1 -63.6(4) ?
C8 C9 C10 C1 166.4(3) ?
C11 C9 C10 C19 54.7(5) ?
C8 C9 C10 C19 -75.4(4) ?
C11 C9 C10 C5 -176.9(3) ?
C8 C9 C10 C5 53.0(4) ?
C7 O3 C26 O4 3.7(6) ?
C7 O3 C26 C27 -177.3(3) ?
C8 C9 C11 C12 -54.5(6) ?
C10 C9 C11 C12 172.8(5) ?
C9 C11 C12 C13 6.4(8) ?
C11 C12 C13 C14 35.4(7) ?
C11 C12 C13 C18 -88.9(7) ?
C11 C12 C13 C17 147.8(5) ?
C18 C13 C14 C15 -91.9(6) ?
C12 C13 C14 C15 144.7(6) ?
C17 C13 C14 C15 24.7(6) ?
C18 C13 C14 C8 91.0(5) ?
C12 C13 C14 C8 -32.3(6) ?
C17 C13 C14 C8 -152.4(3) ?
C7 C8 C14 C15 52.0(7) ?
C9 C8 C14 C15 170.6(6) ?
C30 C8 C14 C15 -65.0(7) ?
C7 C8 C14 C13 -131.5(4) ?
C9 C8 C14 C13 -13.0(5) ?
C30 C8 C14 C13 111.5(4) ?
C13 C14 C15 C16 -3.6(8) ?
C8 C14 C15 C16 173.2(5) ?
C14 C15 C16 C17 -19.6(9) ?
C15 C16 C17 C20 161.4(5) ?
C15 C16 C17 C13 33.2(6) ?
C14 C13 C17 C20 -162.4(4) ?
C18 C13 C17 C20 -44.7(5) ?
C12 C13 C17 C20 78.5(5) ?
C14 C13 C17 C16 -35.0(5) ?
C18 C13 C17 C16 82.6(5) ?
C12 C13 C17 C16 -154.1(5) ?
C16 C17 C20 C21 -18.2(7) ?
C13 C17 C20 C21 102.3(6) ?
C16 C17 C20 C22 158.7(5) ?
C13 C17 C20 C22 -80.8(6) ?
C22 C20 C21 O5 .1(7) ?
C17 C20 C21 O5 177.5(5) ?
C23 O5 C21 C20 .3(7) ?
C21 C20 C22 C23 -.4(7) ?
C17 C20 C22 C23 -177.9(5) ?
C21 O5 C23 C22 -.6(8) ?
C20 C22 C23 O5 .6(8) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21182693
