#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005117.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_2005117
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    'C52'
_journal_page_first     1829
_journal_page_last     1831
_publ_section_title
;
A cis-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System
;
_chemical_formula_moiety     'C17 H19 Br O3'
_chemical_formula_sum     'C17 H19 Br O3'
_chemical_formula_weight     351.23
_symmetry_cell_setting    'Triclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-x,-y,-z'
_symmetry_space_group_name_H-M     'P-1'
_cell_length_a     7.8510(10)
_cell_length_b     10.239(2)
_cell_length_c     10.869(2)
_cell_angle_alpha     63.030(10)
_cell_angle_beta     80.850(10)
_cell_angle_gamma     85.970(10)
_cell_volume     768.8(2)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     1.517
_cell_measurement_temperature     298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Br -0.18966(8) -0.22301(6)  -.09793(6)  .0645(3)
O1 -0.5184(4)  .5961(3)  .2803(3)  .057(2)
O11a -0.3313(4)  .2754(3)  .1544(3)  .0480(10)
O11b -0.2096(4)  .4302(3)  -.0605(3)  .056(2)
C1 -0.5969(6)  .4827(4)  .3234(4)  .038(2)
C2 -0.7685(6)  .4551(5)  .4141(5)  .047(2)
C3 -0.7707(6)  .3105(5)  .5464(5)  .050(2)
C4 -0.7101(6)  .1853(4)  .5113(5)  .048(2)
C5 -0.5318(5)  .2121(4)  .4248(4)  .039(2)
C6 -0.3862(6)  .2113(5)  .5030(5)  .052(2)
C7 -0.2117(6)  .2394(6)  .4118(6)  .060(3)
C8 -0.2096(6)  .3826(5)  .2781(6)  .058(3)
C9 -0.3552(6)  .3908(4)  .1989(5)  .044(2)
C10 -0.5314(6)  .3585(4)  .2894(4)  .038(2)
C11 -0.2594(6)  .3087(5)  .0239(5)  .039(2)
C12 -0.2436(5)  .1789(4)  -.0022(4)  .034(2)
C13 -0.3292(5)  .0481(4)  .0891(4)  .040(2)
C14 -0.3134(6)  -.0717(4)  .0618(5)  .044(2)
C15 -0.2126(6)  -.0596(4)  -.0585(5)  .042(2)
C16 -0.1260(6)  .0690(5) -0.1516(5)  .049(2)
C17 -0.1430(6)  .1871(5) -0.1221(5)  .047(2)
H2a -0.7930  .5334  .4397  .08
H2b -0.8556  .4522  .3626  .08
H3a -0.6960  .3182  .6047  .08
H3b -0.8864  .2908  .5951  .08
H4a -0.7072  .0974  .5970  .08
H4b -0.7904  .1732  .4592  .08
H5 -0.5075  .1305  .4040  .08
H6a -0.4081  .2865  .5331  .08
H6b -0.3834  .1176  .5828  .08
H7a -0.1854  .1600  .3879  .08
H7b -0.1256  .2446  .4629  .08
H8a -0.1013  .3906  .2199  .08
H8b -0.2213  .4627  .3018  .08
H9 -0.3500  .4882  .1236  .08
H10 -0.6098  .3495  .2343  .08
H13 -0.4002  .0410  .1724  .08
H14 -0.3722 -0.1618  .1254  .08
H16 -0.0556  .0755 -0.2350  .08
H17 -0.0840  .2769 -0.1863  .08