#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000762.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_2000762
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1262
_journal_page_last  1265
loop_
_publ_author_name
 'Kaufmann, M.'
 'Berger, D.'
 'Harter, R.'
 'Hirschi, D.'
 'Burgi, H.-B.'
 'Raselli, A.'
 'Rohr, C.'
_chemical_formula_sum  'C18 H15 N1 O3'
_chemical_formula_weight  293.3
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_cell_length_a  12.456(2)
_cell_length_b  6.735(4)
_cell_length_c  16.135(3)
_cell_angle_alpha  90.
_cell_angle_beta  92.170(10)
_cell_angle_gamma  90.
_cell_volume  1353
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.440
_exptl_crystal_density_meas  1.380
_exptl_crystal_F_000  616
_exptl_absorpt_coefficient_mu  0.090
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(9) .97980(10)
      .0816(2) .32440(10)
 O(10) 1.12210(10)
     -.0628(2) .02100(10)
 O(13) .85470(10)
       -.3544(2) .50250(10)
 N(1) .89710(10)
      -.3038(2) .33220(10)
 C(1) .92440(10)
      -.3058(2) .24920(10)
 C(2) .88490(10)
      -.4575(3) .19710(10)
 C(3) .90950(10)
      -.4664(3) .11430(10)
 C(4) .97710(10)
      -.3267(3) .08160(10)
 C(4A) 1.01750(10)
     -.1733(2) .13080(10)
 C(5) 1.19320(10)
       .2853(3) .10190(10)
 C(6) 1.23360(10)
       .4427(3) .14850(10)
 C(7) 1.20740(10)
       .4615(3) .23120(10)
 C(8) 1.13780(10)
       .3283(3) .26630(10)
 C(8A) 1.09500(10)
     .1708(2) .21940(10)
 C(9A) .98930(10)
       -.1546(2) .21470(10)
 C(9) 1.01810(10)
       .0326(2) .25880(10)
 C(10) 1.09010(10)
     -.0308(2) .09030(10)
 C(10A) 1.12570(10)
      .1464(2) .13770(10)
 C(11) .98370(10)
       -.3034(3) .39610(10)
 C(12) .94070(10)
       -.2318(3) .47670(10)
 C(13) .77110(10)
       -.3569(3) .44020(10)
 C(14) .80970(10)
       -.4309(3) .35800(10)
 H2 .8386 -.5600 .2200
 H3 .8789 -.5719 .0788
 H4 .9966 -.3360 .0235
 H5 1.2121 .2711 .0438
 H6 1.2805 .5407 .1232
 H7 1.2384 .5699 .2648
 H8 1.1185 .3444 .3242
 H111 1.0120 -.4383 .4033
 H112 1.0414 -.2149 .3793
 H121 .9144 -.0955 .4695
 H122 .9986 -.2341 .5195
 H131 .7136 -.4443 .4583
 H132 .7432 -.2218 .4329
 H141 .7505 -.4263 .3163
 H142 .8355 -.5679 .3640