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#$Date: 2009-11-14 15:09:05 +0200 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005898.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_2005898
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  53
_journal_year       1997
_journal_page_first    	111
_journal_page_last    	113
_publ_section_title
;
(Z)-3-Phenyl-2-(trifluoromethyl)prop-2-enoic Acid: a Hydrogen-Bonded Dimer
;
_chemical_formula_sum    	'C10 H7 F3 O2'
_chemical_formula_weight    	216.16
_symmetry_cell_setting    	monoclinic
_symmetry_space_group_name_h-m    	'P 21/n'
_cell_length_a    	9.4512(7)
_cell_length_b    	9.8717(6)
_cell_length_c    	21.145(2)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.693(9)
_cell_angle_gamma    	90.00
_cell_volume    	1972.7(4)
_cell_formula_units_z    	8
_exptl_crystal_density_diffrn    	1.46
_cell_measurement_temperature    	291
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    F1 0.2947(1) -0.4260(1) 0.73639(6) 0.0822(4)
    F2 0.3019(1) -0.2332(1) 0.78237(6) 0.0858(4)
    F3 0.1131(1) -0.3485(1) 0.78419(5) 0.0852(4)
    F4 0.8349(1) -0.0086(1) 0.54347(8) 0.1022(5)
    F5 0.8964(1) 0.1893(2) 0.51766(9) 0.1062(5)
    F6 0.8620(2) 0.1404(2) 0.61480(9) 0.1232(6)
    O1 0.4038(1) -0.1699(1) 0.66865(7) 0.0715(4)
    O2 0.2261(1) -0.0685(1) 0.61675(7) 0.0751(4)
    O3 0.4271(1) 0.0738(1) 0.56229(8) 0.0729(4)
    O4 0.6023(2) -0.0210(2) 0.61750(8) 0.0868(4)
    C1 0.2762(2) -0.1557(2) 0.65649(8) 0.0559(4)
    C2 0.1698(2) -0.2452(2) 0.68709(8) 0.0550(4)
    C3 0.0427(2) -0.2612(2) 0.66046(9) 0.0590(5)
    C4 0.2198(2) -0.3135(2) 0.74670(9) 0.0612(5)
    C5 -0.0719(2) -0.3561(2) 0.67585(9) 0.0570(4)
    C6 -0.2112(2) -0.3099(2) 0.6742(1) 0.0701(5)
    C7 -0.3212(2) -0.3964(3) 0.6902(1) 0.0844(7)
    C8 -0.2937(2) -0.5282(3) 0.7052(1) 0.0828(6)
    C9 -0.1575(2) -0.5773(2) 0.7043(1) 0.0756(6)
    C10 -0.0467(2) -0.4909(2) 0.6900(1) 0.0652(5)
    C11 0.5531(2) 0.0645(2) 0.5768(1) 0.0612(5)
    C12 0.6596(2) 0.1583(2) 0.54878(9) 0.0618(5)
    C13 0.6088(2) 0.2675(2) 0.51857(9) 0.0607(5)
    C14 0.8122(2) 0.1205(2) 0.5565(1) 0.0780(6)
    C15 0.6759(2) 0.3885(2) 0.49210(9) 0.0589(4)
    C16 0.7826(2) 0.4605(2) 0.5230(1) 0.0790(6)
    C17 0.8334(3) 0.5795(2) 0.4974(1) 0.0883(7)
    C18 0.7802(2) 0.6284(2) 0.4411(1) 0.0838(6)
    C19 0.6752(3) 0.5597(2) 0.4107(1) 0.0821(7)
    C20 0.6205(2) 0.4412(2) 0.4362(1) 0.0701(6)
    H3 0.020(2) -0.208(2) 0.6269(9) 0.072(6)
    H13 0.507(2) 0.266(2) 0.512(1) 0.067(5)
    H_O4 0.533(3) -0.065(3) 0.631(1) 0.12(1)
    H_O2 0.288(3) -0.029(3) 0.602(1) 0.13(1)
    H6 -0.2310 -0.2191 0.6621 0.0840
    H7 -0.4157 -0.3636 0.6908 0.1012
    H8 -0.3693 -0.5867 0.7164 0.0992
    H9 -0.1394 -0.6700 0.7135 0.0906
    H10 0.0475 -0.5246 0.6898 0.0782
    H16 0.8208 0.4276 0.5619 0.0946
    H17 0.9061 0.6281 0.5190 0.1058
    H18 0.8166 0.7098 0.4236 0.1004
    H19 0.6387 0.5929 0.3716 0.0984
    H20 0.5446 0.3959 0.4152 0.0840