#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/52/2005296.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_2005296
_publ_section_title
;
An Arylsulfonyloxazolidine
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1987
_journal_page_last               1989
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C21 H23 N O4 S'
_chemical_formula_weight         385.46
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.704(1)
_cell_length_b                   12.636(1)
_cell_length_c                   17.819(2)
_cell_measurement_temperature    293
_cell_volume                     1959.8(4)
_exptl_crystal_density_diffrn    1.306
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               2005296
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 1 .2666(2) .6005(1) .60343(9) .0918(5)
C2 1 .2760(2) .5227(1) .6602(1) .0650(5)
H2 1 .2803 .4527 .6366 .078
N3 1 .4270(2) .5453(1) .69568(8) .0603(4)
C4 1 .4989(3) .6405(1) .6618(1) .0735(5)
H4 1 .537 .6868 .7018 .088
C5 1 .3552(3) .6891(2) .6274(2) .1014(8)
H5A 1 .2995 .7305 .6643 .122
H5B 1 .3813 .7342 .5853 .122
C21 1 .1386(2) .5265(1) .7128(1) .0696(5)
H21 1 .0504 .5446 .6812 .084
C22 1 .0984(2) .4207(2) .7492(1) .0742(5)
O22 1 .1047(2) .3366(1) .7180(1) .0910(5)
C23 1 .0428(3) .4416(2) .8275(1) .0944(7)
H23A 1 .1183 .4186 .864 .113
H23B 1 -0.0531 .4047 .8369 .113
C24 1 .0198(3) .5602(2) .8315(2) .0944(7)
H24A 1 .0388 .5861 .8819 .113
H24B 1 -0.0839 .5793 .8169 .113
C25 1 .1365(3) .6054(2) .7766(2) .0860(6)
H25A 1 .105 .6747 .759 .103
H25B 1 .2371 .6111 .7997 .103
S3 1 .52127(5) .45522(3) .74082(2) .0593(2)
O32 1 .4163(2) .4068(1) .79184(6) .0694(3)
O31 1 .6571(2) .5052(1) .76839(8) .0800(4)
C31 1 .5735(2) .3572(1) .67498(9) .0583(4)
C32 1 .4709(2) .2782(1) .6570(1) .0621(4)
H32 1 .3765 .2744 .6812 .074
C33 1 .5093(2) .2046(1) .6025(1) .0708(5)
H33 1 .4398 .1514 .5902 .085
C34 1 .6498(3) .2090(2) .5660(1) .0751(5)
C341 1 .6891(4) .1293(2) .5060(2) .1135(9)
H34A 1 .7985 .1201 .5038 .17
H34B 1 .6525 .1542 .4583 .17
H34C 1 .6412 .0628 .5175 .17
C35 1 .7508(3) .2871(2) .5863(1) .0775(5)
H35 1 .8462 .2898 .5628 .093
C36 1 .7167(2) .3618(2) .6401(1) .0706(5)
H36 1 .7874 .4139 .6528 .085
C41 1 .6257(2) .6211(1) .6059(1) .0694(5)
C42 1 .6043(3) .5635(2) .5404(1) .0827(6)
H42 1 .5086 .5341 .5304 .099
C43 1 .7237(3) .5492(2) .4896(1) .0969(7)
H43 1 .708 .5094 .4464 .116
C44 1 .8639(4) .5936(2) .5033(2) .1036(8)
H44 1 .9437 .5845 .4692 .124
C45 1 .8871(3) .6513(2) .5670(2) .1077(9)
H45 1 .9828 .6815 .5759 .129
C46 1 .7685(3) .6657(2) .6191(2) .0865(7)
H46 1 .7855 .7051 .6624 .104