#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005118.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_2005118
_publ_section_title
;
A cis-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              1829
_journal_page_last               1831
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C11 H18 O2'
_chemical_formula_sum            'C11 H18 O2'
_chemical_formula_weight         182.25
_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'
_cell_angle_alpha                90
_cell_angle_beta                 110.34
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.010
_cell_length_b                   7.553
_cell_length_c                   12.134
_cell_measurement_temperature    298
_cell_volume                     1032.1(3)
_exptl_crystal_density_diffrn    1.173
_[local]_cod_cif_authors_sg_H-M  'P 21/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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005118
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,1/2+y,1/2-z
x,1/2-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
O1 .45520(10) .4714(2) .81260(10) .0637(7)
O8 .6174(2) .6958(3) 1.01350(10) .0697(8)
C1 .5548(2) .4712(3) .8071(2) .0443(8)
C2 .5729(2) .5054(3) .6932(2) .0532(8)
C3 .6679(2) .3886(3) .6754(2) .0545(9)
C4 .7856(2) .3917(3) .7790(2) .0519(8)
C5 .8435(2) .5773(3) .7890(2) .0652(10)
C6 .8713(2) .6834(3) .9020(2) .0616(9)
C7 .7648(2) .7450(3) .9314(2) .0546(8)
C8 .7092(2) .6083(3) .9865(2) .0508(8)
C8a .6622(2) .4372(3) .9152(2) .0449(8)
C9 .7592(2) .3337(3) .8881(2) .0536(9)
C10 .8685(2) .2535(4) .7569(2) .0922(14)
H8a .590(3) .626(4) 1.055(3) .117(12)
H2a .4993 .4840 .6302 .08
H2b .5956 .6269 .6916 .08
H3a .6391 .2690 .6640 .08
H3b .6823 .4283 .6064 .08
H5a .7909 .6484 .7271 .08
H5b .9172 .5615 .7759 .08
H6a .9155 .7863 .8956 .08
H6b .9193 .6107 .9658 .08
H7a .7052 .7842 .8598 .08
H7b .7895 .8427 .9850 .08
H8b .7713 .5635 1.0543 .08
H8c .6362 .3617 .9652 .08
H9a .7355 .2116 .8779 .08
H9b .8312 .3450 .9546 .08
H10a .8868 .2862 .6887 .08
H10b .8302 .1400 .7443 .08
H10c .9405 .2475 .8239 .08