#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005235.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_2005235
_publ_section_title
;
2-Acetylphenyl 1-Naphthoate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2045
_journal_page_last               2047
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C19 H14 O3'
_chemical_formula_weight         290.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.089(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9292(5)
_cell_length_b                   8.8839(5)
_cell_length_c                   14.214(1)
_cell_measurement_temperature    295
_cell_volume                     1454.4(1)
_exptl_crystal_density_diffrn    1.33
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005235
loop_
_symmetry_equiv_pos_as_xyz
X,Y,Z
-X,-Y,-Z
-X+1/2,Y+1/2,-Z+1/2
X+1/2,-Y+1/2,Z+1/2
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O(1) 1 .00913(8) .6393(1) .65656(7) .0478(3)
O(2) 1 -.0587(1) .4486(2) .7280(1) .0721(4)
O(3) 1 -.0344(1) .7843(2) .81176(9) .0809(5)
C(4) 1 .2992(1) .4021(2) .9102(1) .0416(4)
C(5) 1 -0.1044(1) .6852(2) .6100(1) .0422(4)
C(6) 1 .1781(1) .4133(2) .86211(9) .0381(4)
C(7) 1 -0.1591(1) .7944(2) .6528(1) .0421(4)
C(8) 1 .0219(1) .5240(2) .7214(1) .0430(4)
C(9) 1 .1459(1) .5057(2) .77624(9) .0398(4)
C(10) 1 -0.1055(1) .8561(2) .7525(1) .0514(5)
C(11) 1 .3343(1) .3123(2) .9954(1) .0519(5)
C(12) 1 .3813(1) .4783(2) .8725(1) .0512(5)
C(13) 1 .2295(1) .5795(2) .7438(1) .0501(5)
C(14) 1 -0.2680(1) .8445(2) .5989(1) .0482(5)
C(15) 1 .0992(1) .3341(2) .9030(1) .0493(5)
C(16) 1 -0.1541(2) .6299(2) .5179(1) .0540(5)
C(17) 1 .1372(2) .2500(2) .9857(1) .0604(6)
C(18) 1 .2563(2) .2391(2) 1.0326(1) .0592(6)
C(19) 1 -0.3196(1) .7869(2) .5079(1) .0539(5)
C(20) 1 .3478(1) .5657(2) .7917(1) .0566(5)
C(21) 1 -0.1418(2) 1.0086(3) .7777(2) .0677(6)
C(22) 1 -0.2632(2) .6804(2) .4673(1) .0588(5)
H(111) 1 .417(2) .308(2) 1.026(1) .060(5)
H(121) 1 .463(2) .466(2) .906(1) .064(5)
H(131) 1 .207(2) .643(2) .689(1) .059(5)
H(141) 1 -0.308(2) .919(2) .630(1) .056(5)
H(151) 1 .018(2) .341(2) .871(1) .060(5)
H(161) 1 -0.114(2) .560(2) .489(1) .066(6)
H(171) 1 .080(2) .196(2) 1.011(1) .073(6)
H(181) 1 .281(2) .182(2) 1.092(2) .071(6)
H(191) 1 -0.394(2) .819(2) .474(1) .061(5)
H(201) 1 .404(2) .621(2) .766(1) .073(6)
H(211) 1 -0.142(2) 1.080(3) .728(2) .095(8)
H(212) 1 -0.221(2) 1.007(3) .783(2) .108(8)
H(213) 1 -.093(2) 1.041(3) .838(2) .099(7)
H(221) 1 -0.299(2) .640(2) .404(2) .072(6)