#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:55:07 +0000 (Mon, 23 Nov 2009) $
#$Revision: 904 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003219.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_2003219
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year         	1995
_journal_page_first    	279
_journal_page_last    	280
_publ_section_title
;
cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one
;
loop_
_publ_author_name
'Eva M. Campi'
'Gary D. Fallon'
'Andrea Holmes'
'Patrick Perlmutter'
'Chin C. Teo'
_chemical_formula_moiety    	'C18 H19 N O4 S'
_chemical_formula_sum    	'C18 H19 N O4 S'
_chemical_formula_structural    	?
_chemical_formula_analytical    	?
_chemical_formula_weight    	345.4
loop_
    _symmetry_equiv_pos_as_xyz
    x,y,z
    1/2-x,-y,1/2+z
    -x,1/2+y,1/2-z
    1/2+x,1/2-y,-z
    -x,-y,-z
    1/2+x,y,1/2-z
    x,1/2-y,1/2+z
    1/2-x,1/2+y,z
_symmetry_space_group_name_H-M    	'P b c a'
_cell_length_a    	18.688(9)
_cell_length_b    	11.428(6)
_cell_length_c    	15.797(8)
_cell_angle_alpha    	90.0
_cell_angle_beta    	90.0
_cell_angle_gamma    	90.0
_cell_volume    	3374(3)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.36
_exptl_crystal_density_meas    	1.35(1)
_exptl_crystal_density_method    	'flotation in CCl~4~/hexane'
_diffrn_radiation_type    	'Cu K\a'
_diffrn_radiation_wavelength    	1.5418
_cell_measurement_reflns_used    	24
_cell_measurement_theta_min    	14
_cell_measurement_theta_max    	19
_exptl_absorpt_coefficient_mu    	1.85
_cell_measurement_temperature    	293
_exptl_crystal_description    	prism
_exptl_crystal_size_max    	0.17
_exptl_crystal_size_mid    	0.10
_exptl_crystal_size_min    	0.07
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	colourless
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
? ? ? ?