#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000756.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_2000756
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1241
_journal_page_last  1243
loop_
_publ_author_name
 'Mostafa, G.'
 'Mukherjee, M.'
 'Ray, S.'
_chemical_formula_sum  'C25 H22 N2 O3'
_chemical_formula_weight  398.47
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b n 21'
_symmetry_space_group_name_Hall  'p 2c -2ab'
_cell_length_a  9.385(4)
_cell_length_b  12.314(4)
_cell_length_c  18.573(6)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2146.42
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.233
_exptl_crystal_density_meas  1.237
_exptl_crystal_F_000  840
_exptl_absorpt_coefficient_mu  0.047
_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
_atom_site_U_iso_or_equiv
 C(2) .8105(3) .0384(2) .7965 .041
 C(3) .8091(3) -.0188(2) .8663(3) .040
 C(4) .7218(3) -.1216(2) .8584(3) .044
 C(5) .6473(3) -.1063(2) .7842(3) .042
 C(6) .6900(5) .0231(3) .6789(3) .059
 C(7) .7194(5) -.0589(3) .6206(3) .059
 C(8) .8366(6) -.1255(5) .6223(4) .082
 C(9) .8652(7) -.1980(6) .5662(4) .106
 C(10) .7741(10) -.2033(6) .5098(4) .107
 C(11) .6581(8) -.1376(6) .5062(4) .105
 C(12) .6289(6) -.0658(5) .5628(3) .085
 C(13) .4873(3) -.0871(2) .7907(3) .042
 C(14) .3960(3) -.1741(3) .7804(3) .055
 C(15) .2510(4) -.1614(3) .7909(4) .074
 C(16) .1971(4) -.0627(4) .8121(4) .072
 C(17) .2875(4) .0238(3) .8219(3) .063
 C(18) .4333(4) .0117(2) .8112(3) .053
 C(19) .6250(4) -.1521(3) .9202(3) .058
 C(20) .8683(4) .0258(3) .9245(3) .051
 C(21) .8684(4) -.0143(3) .9999(3) .054
 C(22) .7884(6) .0411(4) 1.0498(3) .076
 C(23) .7832(8) .0049(6) 1.1205(3) .102
 C(24) .8622(8) -.0839(5) 1.1411(4) .084
 C(25) .9448(8) -.1364(4) 1.0918(4) .096
 C(26) .9479(6) -.1018(3) 1.0209(3) .075
 N(1) .7213(3) -.0149(2) .7516(3) .045
 N(2) .8344(3) -.2139(2) .8488(3) .051
 O(1) .8789(2) .1210(2) .7823(3) .054
 O(2) .8506(3) -.2788(2) .8972(3) .074
 O(3) .9023(3) -.2152(2) .7929(3) .072