#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004746.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_2004746
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	913
_journal_page_last    	919
_publ_section_title
;
Structures of Five \w-Phthalimidoaliphatic Carboxylic Acids
;
_chemical_formula_sum    	'C14 H15 N1 O4'
_chemical_formula_weight    	261.1
_symmetry_cell_setting    	monoclinic
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	21.055(8)
_cell_length_b    	4.662(1)
_cell_length_c    	28.067(9)
_cell_angle_alpha    	90
_cell_angle_beta    	105.22(3)
_cell_angle_gamma    	90
_cell_volume    	2658
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.30
_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) .2954(6) .004(3) .4315(4) .054(8)
O(8) .2312(5) .202(3) .3600(4) .085(8)
O(7) .3823(5) -.120(3) .4984(4) .073(13)
O(140) .0781(7) .078(4) .6148(6) .142(13)
O(141) -.0062(7) -.154(4) .5791(5) .165(15)
C(6) .3933(7) .222(3) .4347(5) .054(10)
C(5) .4564(7) .314(4) .4450(6) .058(11)
C(4) .4733(8) .507(4) .4136(7) .068(10)
C(3) .4277(9) .605(4) .3723(7) .077(12)
C(2) .3631(8) .507(4) .3600(6) .064(12)
C(1) .3470(7) .316(4) .3921(5) .049(10)
C(8) .2820(8) .180(4) .3889(5) .058(11)
C(7) .3588(6) .012(4) .4597(5) .050(10)
C(9) .2428(8) -.182(4) .4439(6) .073(12)
C(10) .2058(7) -.007(4) .4748(5) .058(10)
C(11) .1613(7) -.199(3) .4943(5) .049(9)
C(12) .1277(7) -.037(4) .5283(6) .072(12)
C(13) .0829(7) -.232(4) .5478(6) .073(12)
C(14) .0488(10) -.069(5) .5819(6) .085(15)
N(1') .2966(6) .898(3) .1935(5) .054(8)
O(8') .2385(5) .937(3) .1109(4) .086(9)
O(7') .3741(6) .952(3) .2675(4) .083(9)
O(140') .0680(7) .888(4) .3647(6) .169(16)
O(141') -.0159(6) .670(4) .3270(5) .148(14)
C(6') .3807(7) 1.211(3) .1931(5) .041(9)
C(5') .4356(7) 1.375(3) .2044(5) .052(10)
C(4') .4494(8) 1.543(4) .1673(7) .071(13)
C(3') .4078(8) 1.525(4) .1198(6) .068(13)
C(2') .3525(7) 1.353(4) .1076(6) .072(11)
C(1') .3395(7) 1.202(4) .1458(5) .058(11)
C(8') .2853(8) .996(4) .1457(6) .059(11)
C(7') .3539(7) 1.011(4) .2238(6) .059(11)
C(9') .2517(10) .665(5) .2100(8) .072(12)
C(10') .2046(7) .844(3) .2329(6) .067(11)
C(11') .1627(6) .633(3) .2519(5) .049(9)
C(12') .1192(7) .784(4) .2786(5) .063(11)
C(13') .0796(7) .583(4) .3010(6) .066(12)
C(14') .0414(8) .727(4) .3318(6) .072(13)
H(5) .4926(7) .240(4) .4774(6) ?
H(4) .5234(8) .582(4) .4211(7) ?
H(3) .4423(9) .763(4) .3490(7) ?
H(2) .3276(8) .576(4) .3268(6) ?
H(91) .2084(8) -.253(4) .4102(6) ?
H(92) .2656(8) -.368(4) .4648(6) ?
H(101) .1771(7) .158(4) .4519(5) ?
H(102) .2412(7) .092(4) .5055(5) ?
H(111) .1240(7) -.284(3) .4635(5) ?
H(112) .1898(7) -.373(3) .5147(5) ?
H(121) .0988(7) .136(4) .5080(6) ?
H(122) .1649(7) .050(4) .5591(6) ?
H(131) .0459(7) -.320(4) .5170(6) ?
H(132) .1119(7) -.404(4) .5683(6) ?
H(5') .4679(7) 1.375(3) .2414(5) ?
H(4') .4915(8) 1.685(4) .1754(7) ?
H(3') .4193(8) 1.652(4) .0910(6) ?
H(2') .3213(7) 1.339(4) .0704(6) ?
H(91') .2811(10) .520(5) .2369(8) ?
H(92') .2239(10) .544(5) .1786(8) ?
H(101') .1739(7) .982(3) .2054(6) ?
H(102') .2329(7) .973(3) .2630(6) ?
H(111') .1326(6) .515(3) .2209(5) ?
H(112') .1945(6) .485(3) .2769(5) ?
H(121') .0854(7) .921(4) .2528(5) ?
H(122') .1493(7) .913(4) .3079(5) ?
H(131') .0455(7) .469(4) .2716(6) ?
H(132') .1128(7) .431(4) .3240(6) ?