data_2000775
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1295
_journal_page_last  1297
loop_
_publ_author_name
 'Wang, X.'
 'Deng, R.-w.'
 'Wu, J.-g.'
 'Chen, Z.-n.'
_chemical_formula_moiety  'C14 H10 F3 N3 O2 S1'
_chemical_formula_sum  'C14 H10 F3 N3 O2 S1'
_chemical_formula_weight  341.31
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  8.604(2)
_cell_length_b  14.290(4)
_cell_length_c  24.924(4)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  3064.5
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.479
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1392
_exptl_absorpt_coefficient_mu  0.24
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 S 1.0031(2) .19497(8) .02183(5)
 F(1) .5180(3) -.0366(2) .07750(10)
 F(2) .5590(4) -.1385(2) .13640(10)
 F(3) .3799(3) -.0372(2) .14780(10)
 O(1) .7293(4) .1644(2) .09330(10)
 O(2) .5276(3) .1283(2) .29560(10)
 N(1) .5915(3) .0544(2) .19840(10)
 N(2) .6929(3) .1121(2) .22470(10)
 N(3) .9609(5) .3455(3) .3423(2)
 C(1) 1.1666(5) .1465(4) .0019(2)
 C(2) 1.2001(5) .0630(3) .0247(2)
 C(3) 1.0842(4) .0371(3) .06150(10)
 C(4) .9664(4) .1025(2) .06430(10)
 C(5) .8228(4) .1015(2) .0953(2)
 C(6) .7977(4) .0168(2) .13080(10)
 C(7) .6402(4) .0141(2) .15630(10)
 C(8) .5216(5) -.0486(3) .1300(2)
 C(9) .6474(4) .1485(3) .27280(10)
 C(10) .7598(4) .2175(3) .29600(10)
 C(11) .8299(5) .2863(3) .2651(2)
 C(12) .9283(5) .3492(3) .2901(2)
 C(13) .8930(6) .2777(3) .3709(2)
 C(14) .7912(5) .2138(3) .3497(2)
 H(1) .243(5) .655(3) -.036(2)
 H(N2) .214(5) .615(3) .292(2)
 H(2) .708(5) .518(3) .482(2)
 H(3) .415(5) .483(3) .077(2)
 H(6) .615(5) .517(3) .157(2)
 H(6') .186(5) .463(3) .393(3)
 H(11) .311(5) .297(3) .271(2)
 H(12) .478(5) .399(3) .233(2)
 H(13) .418(5) .278(3) .092(2)
 H(14) .758(5) .670(3) .368(2)