data_2000236
_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  'C13 H24 O3 S1'
_chemical_formula_weight  260.4
_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  11.737(2)
_cell_length_b  21.244(4)
_cell_length_c  22.932(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  5117.9(1.4)
_cell_formula_units_Z  16
_exptl_crystal_density_diffrn  1.21
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  2272
_exptl_absorpt_coefficient_mu  1.923
_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
 C1A .9858(8) .5316(5) .1229(4)
 C2A .9601(7) .5222(4) .1890(4)
 C3A .8337(7) .5457(4) .1923(3)
 C4A .8008(8) .5552(4) .1266(4)
 C5A .8533(8) .6186(4) .1119(4)
 C6A .9824(8) .6031(5) .1130(5)
 C7A .8776(8) .5086(5) .0924(4)
 C8A 1.1006(8) .5023(5) .1048(5)
 C9A .8464(12) .4406(4) .1005(5)
 C10A .8776(11) .5210(6) .0267(4)
 S11A .7312(2) .50450(10)
   .23480(10)
 O12A .7053(7) .4431(3) .2143(3)
 O13A .6338(5) .5464(3) .2400(3)
 C14A .7963(8) .5009(5) .3047(4)
 C15A .7175(13) .4673(11) .3478(5)
 C16A .764(2)   .4366(8) .3924(8)
 O17A .9713(5) .4587(3) .2097(3)
 C1B .5141(9) .6913(4) .0811(4)
 C2B .5364(8) .6734(5) .1450(4)
 C3B .4796(7) .7312(4) .1770(4)
 C4B .4157(9) .7676(4) .1278(4)
 C5B .5137(11) .8052(5) .0981(5)
 C6B .5842(10) .7527(6) .0704(5)
 C7B .3891(8) .7171(5) .0813(4)
 C8B .5412(11) .6394(6) .0385(4)
 C9B .2973(9) .6699(5) .0981(4)
 C10B .3543(11) .7463(6) .0221(5)
 S11B .4034(2) .71610(10)
   .24250(10)
 O12B .4767(5) .6784(3) .2794(3)
 O13B .2909(5) .6911(3) .2326(3)
 C14B .3900(10) .7935(4) .2726(4)
 C15B .3450(10) .7903(5) .3363(5)
 C16B .2156(10) .7863(6) .3398(5)
 O17B .4888(6) .6146(3) .1608(3)
 C1C .2824(8) .5556(4) .3756(4)
 C2C .3261(8) .5455(4) .3117(4)
 C3C .3514(7) .4735(4) .3143(4)
 C4C .2994(8) .4503(4) .3720(4)
 C5C .3903(9) .4696(5) .4169(5)
 C6C .3866(10) .5419(5) .4150(4)
 C7C .2045(8) .4979(4) .3850(4)
 C8C .2298(11) .6215(4) .3836(5)
 C9C .1002(8) .4927(5) .3454(5)
 C10C .1618(10) .4929(6) .4487(4)
 S11C .3196(2) .42730(10)
   .25040(10)
 O12C .2011(5) .4272(3) .2338(3)
 O13C .3685(6) .3664(3) .2618(3)
 C14C .3985(9) .4636(5) .1931(4)
 C15C .4012(10) .4258(5) .1395(4)
 C16C .4734(13) .4548(6) .0930(4)
 O17C .2518(6) .5628(3) .2663(3)
 C1D .2882(8) .2108(5) .0708(4)
 C2D .3071(8) .2098(4) .1366(4)
 C3D .2038(7) .2470(4) .1593(4)
 C4D .1250(7) .2530(4) .1044(4)
 C5D .1793(9) .3084(5) .0723(4)
 C6D .2982(9) .2817(4) .0532(4)
 C7D .1568(9) .1974(5) .0645(5)
 C8D .3699(11) .1676(5) .0362(6)
 C9D .1156(10) .1332(5) .0848(6)
 C10D .1141(12) .2041(7) .0011(5)
 S11D .1426(2) .21800(10)
   .22510(10)
 O12D .2323(8) .2088(4) .2667(3)
 O13D .0657(7) .1660(4) .2170(4)
 C14D .0604(10) .2841(5) .2488(5)
 C15D -.0070(16) .2701(9) .3031(7)
 C16D -.021(3)   .3018(11) .3411(12)
 O17D .3174(6) .1466(3) .1583(3)