#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000522.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_2000522
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1791
_journal_page_last  1794
loop_
_publ_author_name
 'Durier, V.'
 'Driguez, H.'
 'Rollin, P.'
 'Dueee, E.'
 'Buisson, G.'
_chemical_formula_sum  'C21 H25 N1 O10 S1'
_chemical_formula_weight  483.5
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2'
_symmetry_space_group_name_Hall  ?
_cell_length_a  16.247(9)
_cell_length_b  11.182(7)
_cell_length_c  13.420(6)
_cell_angle_alpha  90.
_cell_angle_beta  91.62(4)
_cell_angle_gamma  90.
_cell_volume  2437.33
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.317
_exptl_crystal_density_meas  1.309
_exptl_crystal_F_000  1016
_exptl_absorpt_coefficient_mu  ?
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.711
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 S .26620(10)
      .0037 .16860(10)
 O(2) .3780(2) -.1835(3) .2444(2)
 O(3) .40050(10)
      -.1298(3) .4447(2)
 O(4) .32270(10)
      .1079(3) .4910(2)
 O(5) .39280(10)
      .1417(3) .2387(2)
 O(31) .2814(2) -.1528(3) .5219(3)
 O .1310(2) .1492(5) .1562(3)
 O(6) .4655(2) .3059(3) .3618(2)
 O(41) .4156(2) .0582(3) .6105(2)
 O(61) .4573(3) .5026(4) .3695(4)
 O(21) .4945(2) -.2029(4) .1651(3)
 N .1861(2) .1883(5) .0847(3)
 C(1) .3756(2) .0278(4) .2011(3)
 C(2) .4028(2) -.0655(4) .2773(3)
 C(6) .3777(2) .2997(4) .3526(4)
 C(3) .3630(2) -.0446(3) .3767(2)
 C(41) .3478(2) .0890(4) .5862(3)
 C(5) .3545(2) .1721(4) .3300(3)
 C(4) .3779(2) .0819(3) .4114(3)
 C(31) .3529(2) -.1784(4) .5146(3)
 C(21) .4299(3) -.2436(4) .1867(3)
 C(32) .4001(4) -.2621(6) .5781(5)
 C(61) .4986(3) .4143(4) .3650(3)
 C(7) .2515(2) .1256(5) .0873(3)
 C(62) .5899(3) .4116(6) .3640(5)
 C(42) .2778(3) .1100(6) .6550(4)
 C(22) .3952(5) -.3605(6) .1554(5)
 C(8) .3153(2) .1558(6) .0135(3)
 C(9) .3512(3) .0627(7) -.0413(3)
 C(10) .4088(4) .0906(10) -.1101(4)
 C(11) .4318(4) .2082(10) -.1235(5)
 C(12) .3964(4) .3002(10) -.0696(6)
 C(13) .3374(3) .2736(7) .0006(5)
 H .102(3)   .195(5)   .148(4)
 H(C1) .413(3)   .019(5)   .146(4)
 H(C2) .467(3)   -.069(5)   .282(4)
 H(C611) .364(3)   .358(5)   .293(4)
 H(C612) .356(3)   .319(5)   .416(4)
 H(C3) .304(3)   -.060(5)   .372(4)
 H(C5) .297(3)   .159(5)   .319(3)
 H(C4) .432(3)   .091(5)   .438(4)
 H(C321) .368(5)   -.300(8)   .618(6)
 H(C322) .428(5)   -.318(8)   .551(6)
 H(C323) .457(5)   -.232(7)   .598(6)
 H(C621) .614(4)   .466(8)   .325(5)
 H(C622) .617(5)   .432(7)   .419(6)
 H(C623) .606(5)   .347(9)   .359(6)
 H(C421) .302(4)   .122(8)   .721(6)
 H(C422) .257(5)   .183(8)   .657(6)
 H(C423) .227(4)   .080(8)   .629(6)
 H(C221) .441(5)   -.385(8)   .125(6)
 H(C222) .388(4)   -.409(8)   .209(7)
 H(C223) .349(4)   -.353(7)   .096(5)
 H(C9) .3335(3) -.0290(7) -.0293(3)
 H(C10) .4327 .0191 -.1559
 H(C11) .4783(4) .2294(10) -.1767(5)
 H(C12) .4143(4) .3918(10) -.0822(6)
 H(C13) .3098(3) .3436(7) .0440(5)