#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007519.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_9007519
_chemical_name 'Ylid'
loop_
_publ_author_name
'Christensen A T'
'Thom E'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 27
_journal_year 1971
_journal_page_first 581
_journal_page_last 586
_publ_section_title
;
 The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione
;
_chemical_formula_sum 'C11 O2 S H10'
_cell_length_a 18.331
_cell_length_b 9.012
_cell_length_c 5.949
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 982.769
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
C1   0.10008  -0.05523   0.18330 ?
C2   0.07783  -0.12614   0.38522 ?
C3   0.12478  -0.24872   0.43920 ?
C4   0.18203  -0.24824   0.26019 ?
C5   0.24261  -0.33758   0.23448 ?
C6   0.28770  -0.31158   0.05134 ?
C7   0.27250  -0.20004   0.89875 ?
C8   0.21165  -0.10923   0.92521 ?
C9   0.16740  -0.13548   0.10749 ?
O10   0.07282   0.05253   0.08495 ?
O11   0.12074  -0.33904   0.59239 ?
S12   0.00963  -0.06841   0.55985 ?
C13  -0.07276  -0.07369   0.40039 ?
C14   0.02129   0.12778   0.58522 ?
H15   0.19930  -0.03881   0.80885   0.03293
H16   0.30718  -0.19207   0.75411   0.05129
H17   0.33384  -0.37029   0.02650   0.02634
H18   0.25517  -0.41118   0.35533   0.05560
H19   0.02535   0.16566   0.42299   0.02799
H20   0.07654   0.14432   0.68686   0.04142
H21  -0.02535   0.16008   0.67677   0.01950
H22  -0.08700  -0.16705   0.36148   0.04357
H23  -0.11177  -0.03064   0.51986   0.07738
H24  -0.06271  -0.03427   0.24319   0.03103