#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005567.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_2005567
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2844
_journal_page_last 	2847
_publ_section_title 	
;
Three 1,4-Trans-Substituted Cyclohexanes
;
_chemical_formula_sum 	'C12 H16 F4 O4'
_chemical_formula_weight 	300.25
_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 	6.222(2)
_cell_length_b 	9.778(2)
_cell_length_c 	5.966(2)
_cell_angle_alpha 	102.83(2)
_cell_angle_beta 	108.44(2)
_cell_angle_gamma 	96.57(2)
_cell_volume 	329.0(4)
_cell_formula_units_z 	1
_exptl_crystal_density_diffrn 	1.52
_cell_measurement_temperature 	291
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 F5A 0.0636(1) 0.1402(1) 0.7146(2) 0.0553(3)
 F5B 0.3266(2) 0.33540(9) 0.8391(2) 0.0631(3)
 O1 0.8147(2) 0.2924(1) 1.1828(2) 0.0531(3)
 O2 0.5815(1) 0.3077(1) 1.4027(2) 0.0402(2)
 C1 0.4291(2) 0.1424(1) 1.0076(2) 0.0281(2)
 C2 0.5034(2) 0.0645(1) 0.7994(2) 0.0303(2)
 C3 0.3294(2) 0.0321(1) 1.1168(2) 0.0296(2)
 C5 0.2414(2) 0.2258(1) 0.9148(2) 0.0385(3)
 C6 0.6335(2) 0.2545(1) 1.2041(2) 0.0315(3)
 C7 0.7561(3) 0.4201(2) 1.5979(3) 0.0481(4)
 H2A 0.365(2) 0.007(1) 0.667(2) 0.035(4)
 H2B 0.574(3) 0.133(2) 0.738(3) 0.041(4)
 H3B 0.184(2) -0.026(1) 0.991(2) 0.034(4)
 H3A 0.290(2) 0.081(1) 1.253(2) 0.034(4)
 H5 0.177(2) 0.266(2) 1.034(3) 0.039(4)
 H7A 0.766(3) 0.504(2) 1.543(3) 0.071(6)
 H7B 0.702(4) 0.438(2) 1.734(4) 0.085(7)
 H7C 0.907(3) 0.392(2) 1.640(3) 0.077(6)