#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2001983.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_2001983
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 338
_journal_page_last 340
loop_
_publ_author_name
'Maverick, E.'
'Chiefari, J.'
'Lightner, D.A.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C11 H11 N1 O3'
_chemical_formula_weight 205.21
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_space_group_name_Hall ?
_cell_length_a 5.7250(10)
_cell_length_b 9.0380(10)
_cell_length_c 10.401(2)
_cell_angle_alpha 101.370(10)
_cell_angle_beta 102.630(10)
_cell_angle_gamma 102.830(10)
_cell_volume 494.67
_cell_formula_units_Z 2
_exptl_crystal_density_diffrn 1.38
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 216
_exptl_absorpt_coefficient_mu ?
_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
N1 .1863(2)   .86028(13) .47144(11) .019
C2 .1602(3)   .91758(16) .35781(13) .019
C3 -.0859(3)   .86850(16) .26620(13) .020
C4 -.2758(3)   .77012(16) .29180(14) .022
C5 -.2376(3)   .71094(17) .40869(14) .022
C6 -.0042(3)   .76023(16) .49782(13) .019
O7 .34280(19) 1.00708(13) .34007(10) .027
O1' -.13092(18) .59026(12) .63594(10) .023
C2' -.0523(3)   .56669(17) .76325(14) .021
C3' .1846(2)   .69505(16) .84528(13) .019
C4' .2385(3)   .77820(16) .73956(13) .020
C5' .0519(3)   .71668(16) .62578(14) .019
C6' .3872(3)   .62356(18) .90501(15) .027
C7' .1217(3)   .79942(19) .96092(16) .030
O8' -.1668(2)   .46039(13) .79612(11) .029
H1 .3546 .8965 .5365 ?
H3 -.1018 .9195 .1809 ?
H4 -.4616 .7363 .2250 ?
H5 -.3799 .6341 .4353 ?
H4' .4009 .8701 .7499 ?
H6'A .5461 .7202 .9655 ?
H6'B .4390 .5539 .8247 ?
H6'C .3258 .5513 .9691 ?
H7'A .2884 .8932 1.0158 ?
H7'B .0664 .7310 1.0289 ?
H7'C -.0260 .8486 .9218 ?