data_2000709
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1521
_journal_page_last  1523
loop_
_publ_author_name
 'Husebye, S.'
 'Maartmann-Moe, K.'
 'Mikalsen, O.'
_chemical_formula_sum  'C22 H17 N3 S3'
_chemical_formula_weight  419.59
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  ?
_cell_length_a  12.8198(9)
_cell_length_b  6.9843(8)
_cell_length_c  23.0717(13)
_cell_angle_alpha  90.
_cell_angle_beta  102.981(5)
_cell_angle_gamma  90.
_cell_volume  2013.0(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.390
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  ?
_exptl_absorpt_coefficient_mu  36.67
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 S(1) .55630(10)
      .6990(3) .04961(5)
 S(2) .41580(10)
      .6853(3) .07748(5)
 S(3) .58860(10)
      .6596(3) .29164(5)
 N(1) .4094(3) .6708(7) .1900(2)
 N(2) .7428(3) .7050(6) .12630(10)
 N(3) .7529(3) .6982(6) .24090(10)
 C(1) .4764(3) .6842(7) .1534(2)
 C(2) .5878(3) .6896(7) .1709(2)
 C(3) .6418(3) .6976(8) .1217(2)
 C(4) .2963(3) .6632(8) .1754(2)
 C(5) .2462(4) .5190(10)
        .1983(2)
 C(6) .1355(4) .5100(10)
        .1856(3)
 C(7) .0762(4) .6490(10)
        .1530(2)
 C(8) .1256(4) .7930(10)
        .1305(2)
 C(9) .2357(4) .8028(9) .1421(2)
 C(10) .7849(3) .7147(8) .0736(2)
 C(11) .8030(5) .5530(10)
         .0448(2)
 C(12) .8476(5) .5660(10)
         -.0055(3)
 C(13) .8719(4) .7400(10)
         -.0247(2)
 C(14) .8556(5) .8990(10)
         .0042(2)
 C(15) .8117(5) .8880(10)
         .0542(2)
 C(16) .6473(3) .6859(7) .2333(2)
 C(17) .8396(3) .6935(7) .2916(2)
 C(18) .9395(3) .6762(8) .2800(2)
 C(19) 1.0302(4) .6762(9) .3253(2)
 C(20) 1.0223(4) .6857(9) .3834(2)
 C(21) .9237(4) .7003(9) .3949(2)
 C(22) .8318(4) .7068(8) .3503(2)
 H(1) .442(3) .650(7) .227(2)
 H(2) .777(3) .710(6) .210(2)
 H(3) .286(4) .433(8) .217(2)
 H(4) .099(5) .420(10)
      .200(3)
 H(5) .005(4) .646(9) .141(2)
 H(6) .083(4) .888(9) .112(2)
 H(7) .271(4) .897(7) .134(2)
 H(8) .789(4) .450(9) .056(2)
 H(9) .862(4) .466(9) -.018(2)
 H(10) .912(5) .734(9) -.058(3)
 H(11) .871(5) 1.026(9) -.010(3)
 H(12) .799(4) .988(8) .069(2)
 H(13) .946(3) .664(7) .242(2)
 H(14) 1.093(3) .660(7) .317(2)
 H(15) 1.089(4) .679(8) .416(2)
 H(16) .911(4) .706(8) .431(2)
 H(17) .767(3) .713(7) .357(2)