#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004744.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_2004744
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	913
_journal_page_last    	919
_publ_section_title
;
Structures of Five \w-Phthalimidoaliphatic Carboxylic Acids
;
_chemical_formula_sum            'C12 H11 N O4'
_[local]_cod_chemical_formula_sum_orig 'C12 H11 N1 O4'
_chemical_formula_weight    	233.1
_symmetry_cell_setting    	triclinic
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	7.336(6)
_cell_length_b    	10.950(3)
_cell_length_c    	14.693(5)
_cell_angle_alpha    	100.79(3)
_cell_angle_beta    	104.50(5)
_cell_angle_gamma    	83.53(6)
_cell_volume    	1119(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.38
_cell_measurement_temperature    	295
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .2521(7) .7805(5) .4609(3) .053(4)
O(7) .2763(8) .5674(5) .4347(4) .090(4)
O(8) .2180(8) .9846(5) .4396(4) .087(4)
O(120) .8990(7) .7298(5) .6632(3) .078(3)
O(121) .7746(7) .8063(7) .7837(4) .114(5)
C(1) .2338(9) .8146(7) .3107(4) .055(4)
C(2) .2128(11) .8674(9) .2306(5) .087(6)
C(3) .2148(13) .7847(13) .1461(7) .114(8)
C(4) .2356(13) .6593(13) .1452(7) .104(8)
C(5) .2539(11) .6058(9) .2257(6) .082(6)
C(6) .2528(9) .6888(7) .3079(5) .051(4)
C(7) .2639(9) .6644(7) .4057(5) .058(5)
C(8) .2331(9) .8751(6) .4093(5) .055(5)
C(9) .2430(10) .8035(7) .5612(4) .068(5)
C(10) .4402(10) .8378(6) .6298(5) .064(5)
C(11) .5636(11) .7233(7) .6341(5) .075(5)
C(12) .7580(11) .7553(8) .6995(5) .073(6)
N(1') .7419(7) .7135(5) 1.0976(4) .057(4)
O(7') .7156(8) .9220(5) 1.1608(4) .084(4)
O(8') .7812(8) .5000(5) 1.0826(3) .083(4)
O(120') .0962(7) .8429(5) .9075(3) .082(4)
O(121') .2207(6) .7625(4) .7854(3) .063(3)
C(1') .7615(8) .6323(6) 1.2327(4) .046(4)
C(2') .7781(10) .5561(6) 1.2993(5) .063(5)
C(3') .778(10) .6120(7) 1.3911(5) .069(5)
C(4') .7670(9) .7397(7) 1.4163(5) .063(5)
C(5') .7473(9) .8167(6) 1.3494(5) .056(4)
C(6') .7453(8) .7595(6) 1.2570(4) .048(4)
C(7') .7306(9) .8150(7) 1.1706(5) .055(5)
C(8') .7624(9) .6013(7) 1.1298(5) .058(5)
C(9') .7526(10) .7228(8) 1.0008(5) .073(5)
C(10') .5583(10) .7071(7) .9290(5) .064(5)
C(11') .4324(10) .8222(7) .9377(5) .067(5)
C(12') .2392(10) .8061(6) .8708(5) .058(5)
H(2) .1960(11) .9671(9) .2329(5) ?
H(3) .1995(13) .8204(13) .0807(7) ?
H(4) .2381(13) .5985(13) .0784(7) ?
H(5) .2680(11) .5061(9) .2237(6) ?
H(91) .1395(10) .8798(7) .5720(4) ?
H(92) .2010(10) .7206(7) .5781(4) ?
H(101) .4216(10) .8775(6) .7002(5) ?
H(102) .5016(10) .9042(6) .6025(5) ?
H(111) .5028(11) .6576(7) .6624(5) ?
H(112) .5799(11) .6829(7) .5634(5) ?
H(2') .7903(10) .4559(6) 1.2800(5) ?
H(3') .7887(10) .5546(7) 1.4447(5) ?
H(4') .7733(9) .7804(7) 1.4898(5) ?
H(5') .7341(9) .9169(6) 1.3684(5) ?
H(91') .7993(10) .8131(8) 1.0014(5) ?
H(92') .8530(10) .6508(8) .9784(5) ?
H(101') .4924(10) .6313(7) .9428(5) ?
H(102') .5798(10) .6859(7) .8575(5) ?
H(111') .4162(10) .8456(7) 1.0101(5) ?
H(112') .4957(10) .8970(7) .9209(5) ?
_cod_database_code 2004744