data_2000366
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2174
_journal_page_last  2177
loop_
_publ_author_name
 'Rambaud, J.'
 'Pauvert, B.'
 'Boussab, A.'
 'Terol, A.'
 'Chevallet, P.'
 'Declercq, J.P.'
_chemical_formula_sum  'C17 H22 O3 S1'
_chemical_formula_weight  306.407
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 2'
_symmetry_space_group_name_Hall  ?
_cell_length_a  13.327(5)
_cell_length_b  19.277(8)
_cell_length_c  6.361(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1634.0(10)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.245
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  656
_exptl_absorpt_coefficient_mu  1.77
_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
 C(1) .1101(2) -.16150(10)
       .4009(4)
 C(2) .0290(2) -.21860(10)
       .3403(4)
 C(3) .1001(2) -.28090(10)
       .2811(4)
 C(4) .1984(2) -.2490(2) .1968(6)
 C(5) .1893(2) -.1705(2) .2307(5)
 C(11) .0627(2) -.08980(10)
        .4000(5)
 C(12) .1559(3) -.1754(2) .6171(5)
 C(21) -.0336(2) -.1962(2) .1496(5)
 C(22) -.0421(3) -.2347(2) .5213(5)
 C(31) .0531(2) -.33110(10)
        .1256(4)
 C(32) -.0240(2) -.38130(10)
         .1958(4)
 C(33) -.0369(2) -.40400(10)
         .4021(4)
 C(34) -.1076(2) -.45360(10)
         .4509(4)
 C(35) -.1681(2) -.48290(10)
         .2962(4)
 C(36) -.1574(2) -.4590(2) .0916(5)
 C(37) -.0861(3) -.4098(2) .0425(5)
 C(38) -.3193(3) -.5667(2) .1405(7)
 S -.25250(10)
    -.54730(10)
        .37320(10)
 O(1) .0766(2) -.32920(10)
       -.0595(3)
 O(2) .0605(2) -.05580(10)
       .2300(3)
 O(3) .0267(2) -.06620(10)
       .5688(3)
 H(3) .109(3)   -.3040(18) .418(6)
 H(4) .253(3)   -.2669(18) .286(5)
 H(4A) .209(3)   -.2625(18) .044(6)
 H(5) .257(3)   -.1518(17) .285(5)
 H(5A) .165(3)   -.1507(18) .090(6)
 H(12) .216(3)   -.1369(18) .646(6)
 H(12A) .183(3)   -.219(2)   .618(6)
 H(12B) .106(3)   -.1717(19) .742(5)
 H(21) .006(3)   -.1864(19) .020(5)
 H(21A) -.083(3)   -.2350(18) .104(6)
 H(21B) -.073(3)   -.1559(19) .183(6)
 H(22) -.102(3)   -.2620(19) .459(5)
 H(22A) -.006(3)   -.2527(19) .646(6)
 H(22B) -.076(3)   -.195(2)   .562(5)
 H(33) .004(3)   -.3890(19) .511(5)
 H(34) -.117(3)   -.4694(19) .578(6)
 H(36) -.201(3)   -.4770(19) -.006(6)
 H(37) -.080(3)   -.3900(17) -.098(6)
 H(38) -.375(3)   -.5958(19) .176(6)
 H(38A) -.349(3)   -.524(2)   .094(6)
 H(38B) -.275(3)   -.5833(19) .016(6)