#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001985.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_2001985
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 343
_journal_page_last 345
loop_
_publ_author_name
'Leban, I.'
'Kocevar, M.'
'Vercek, B.'
_chemical_formula_moiety 'C18 H17 N1 O4'
_chemical_formula_sum 'C18 H17 N1 O4'
_chemical_formula_weight 311.34
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_space_group_name_Hall ?
_cell_length_a 6.782(2)
_cell_length_b 18.496(3)
_cell_length_c 12.439(3)
_cell_angle_alpha  90
_cell_angle_beta 99.340(10)
_cell_angle_gamma  90
_cell_volume 1539.7(8)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.343
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 656
_exptl_absorpt_coefficient_mu 0.0890
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1 .1893(2) .15610(10)
 -.00900(10)
   .043
C2 .3481(3) .11520(10)
 -.0323(2) .039
O2 .4193(2) .07120(10)
 .03420(10)
  .049
C3 .4130(3) .12850(10)
 -.1357(2) .040
C4 .3167(3) .17770(10)
 -.2061(2) .046
C4A .1522(3) .21720(10)
  -.1771(2) .041
C5 .0397(3) .26890(10)
 -.2554(2) .049
O5 .0922(3) .28080(10)
 -.34240(10)
   .080
C6 -.1440(4) .30280(10)
  -.2226(2) .050
C7 -.1314(3) .31520(10)
  -.1002(2) .046
C71 -.3356(4) .33930(10)
   -.0750(2) .067
C72 .0235(4) .37450(10)
  -.0626(2) .061
C8 -.0712(3) .24420(10)
  -.0384(2) .048
C8A .0942(3) .20620(10)
  -.0799(2) .040
N .5759(3) .08470(10)
-.15100(10)
  .045
C .6909(3) .09530(10)
-.2304(2) .042
O .6580(3) .14420(10)
-.29620(10)
  .063
C11 .8647(3) .04520(10)
  -.2317(2) .041
C12 .9680(3) .05140(10)
  -.3187(2) .053
C13 1.1366(4) .00950(10)
   -.3231(2) .061
C14 1.2011(3) -.03900(10)
-.2412(2) .054
C15 1.0994(4) -.04620(10)
-.1552(2) .059
C16 .9309(3) -.00410(10)
   -.1502(2) .054
H4 .3641 .1870 -.2839 ?
H61 -.1682 .3546 -.2632 ?
H62 -.2698 .2678 -.2496 ?
H71A -.3796 .3890 -.1179 ?
H71B -.3256 .3479 .0117 ?
H71C -.4452 .2978 -.1011 ?
H72A .1678 .3579 -.0801 ?
H72B .0327 .3831 .0241 ?
H72C -.0212 .4242 -.1055 ?
H81 -.1996 .2088 -.0472 ?
H82 -.0241 .2566 .0468 ?
HN .6127 .0396 -.0962 ?
H12 .9171 .0891 -.3836 ?
H13 1.2168 .0150 -.3911 ?
H14 1.3323 -.0715 -.2445 ?
H15 1.1501 -.0845 -.0910 ?
H16 .8520 -.0101 -.0822 ?