#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000237.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_2000237
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2234
_journal_page_last  2236
loop_
_publ_author_name
 'Declercq, J.P.'
 'Feneau-Dupont, J.'
 'Huart, C.'
 'Nemery, I.'
_chemical_formula_sum  'C14 H26 O3 S1'
_chemical_formula_weight  274.4
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  8.651(2)
_cell_length_b  11.920(4)
_cell_length_c  14.256(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1470.1(6)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.24
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  600
_exptl_absorpt_coefficient_mu  1.895
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C1 .2935(3) -.8422(3) -.8562(2)
 C2 .1419(4) -.8036(2) -.8069(2)
 C3 .0327(3) -.9074(2) -.8200(2)
 C4 .1453(4) -.9975(2) -.8615(2)
 C5 .1630(4) -.9683(3) -.9666(2)
 C6 .2509(5) -.8536(3) -.9616(2)
 C7 .3095(4) -.9642(3) -.8252(2)
 C8 .4269(5) -.7607(4) -.8394(3)
 C9 .3434(4) -.9818(4) -.7202(2)
 C10 .4403(4) -1.0289(4) -.8765(3)
 S11 -.06340(10)
   -.96770(10)
    -.71700(10)
 O12 .0396(3) -1.0217(2) -.6532(2)
 O13 -.1830(3) -1.0397(2) -.7557(2)
 C14 -.1608(6) -.8569(3) -.6556(3)
 C15 -.2481(5) -.9067(4) -.5732(3)
 C16 -.3279(9) -.8199(5) -.5153(4)
 O17 .1602(3) -.7710(2) -.7113(2)
 C18 -.1037(4) -.8739(3) -.8837(2)