#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005574.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_2005574
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2927
_journal_page_last 	2929
_publ_section_title 	
;
Torturing the 7-Oxabicyclo[2.2.1]heptane Skeleton with an Oxetane Ring:
4,7-Dioxatricyclo[3.2.1.0^3,6^]octane at 190 K
;
_chemical_formula_sum 	'C6 H8 O2'
_chemical_formula_weight 	112.13
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'
 '-x,-y,-z'
 'x,-y,z'
 '-x,+y,-z'
_symmetry_space_group_name_h-m 	' C 2/m'
_cell_length_a 	9.634(3)
_cell_length_b 	6.5478(8)
_cell_length_c 	8.474(1)
_cell_angle_alpha 	90.00
_cell_angle_beta 	98.86(2)
_cell_angle_gamma 	90.00
_cell_volume 	528.2(3)
_cell_formula_units_z 	4
_exptl_crystal_density_diffrn 	1.41
_cell_measurement_temperature 	190
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 0.5187(1) 0.0000 0.2475(1) 0.0336(3)
 O7 0.1876(1) 0.0000 0.1265(1) 0.0316(3)
 C1 0.3253(2) 0.0000 0.0858(2) 0.0296(4)
 C2 0.4136(1) -0.1557(2) 0.1945(1) 0.0306(3)
 C3 0.3213(1) -0.1901(2) 0.3229(1) 0.0331(3)
 C4 0.2292(1) 0.0000 0.2976(2) 0.0293(4)
 H1 0.325(2) 0.0000 -0.029(2) 0.032(4)
 H2 0.453(1) -0.276(2) 0.147(1) 0.043(3)
 H3 0.264(2) -0.312(2) 0.302(1) 0.060(4)
 H4 0.376(1) -0.201(2) 0.430(1) 0.035(3)
 H5 0.147(2) 0.0000 0.351(2) 0.044(5)