#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/08/2000890.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000890
loop_
_publ_author_name
'Jones, P. G.'
'Kirby, A. J.'
'Parker, J. K.'
_publ_section_title
;
 Bond length and reactivity. The effect of β-fluorine. Structures of
 the 4-phenylbenzoate, the diphenyl phosphate and the
 2-naphthalenesulfonate esters of trans-2-fluorocyclohexanol
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              852
_journal_page_last               855
_journal_paper_doi               10.1107/S0108270191012234
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H20 F O4 P'
_chemical_formula_weight         350.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.80(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.644(5)
_cell_length_b                   9.277(3)
_cell_length_c                   12.048(4)
_cell_volume                     1750.3(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.18
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_F_000             736
_cod_data_source_file            ha0058.cif
_cod_data_source_block           ha0058b
_cod_original_cell_volume        1750
_cod_original_formula_sum        'C18 H20 F1 O4 P1'
_cod_database_code               2000890
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P .5000 .9092(4) .5000 .0430(10)
O(1) .54750(10) 1.0266(2) .59000(10) .0710(10)
O(2) .44420(10) .8238(2) .56090(10) .0620(10)
O(3) .42860(10) 1.00480(10) .41150(10) .0510(10)
O(4) .55200(10) .82030(10) .45220(10) .0500(10)
C(11) .64070(10) 1.0342(2) .6407(2) .0510(10)
C(12) .6696(2) 1.1795(3) .6146(2) .0650(10)
F .6473(2) 1.1942(2) .49370(10) .1190(10)
C(13) .7644(2) 1.1969(3) .6722(2) .0720(10)
C(14) .7904(2) 1.1728(3) .8032(2) .0780(10)
C(15) .7619(2) 1.0286(3) .8305(2) .0830(10)
C(16) .6663(2) 1.0102(3) .7716(2) .0700(10)
C(21) .47220(10) .6945(2) .6230(2) .0480(10)
C(22) .46370(10) .5682(2) .5619(2) .0610(10)
C(23) .4858(2) .4407(3) .6233(3) .0760(10)
C(24) .5148(2) .4412(3) .7440(3) .0810(10)
C(25) .5242(2) .5686(3) .8043(2) .0740(10)
C(26) .50200(10) .6982(2) .7447(2) .0590(10)
C(31) .36580(10) .9423(2) .3129(2) .0440(10)
C(32) .38640(10) .9088(2) .2154(2) .0530(10)
C(33) .3235(2) .8586(3) .1159(2) .0680(10)
C(34) .2409(2) .8456(3) .1143(2) .0730(10)
C(35) .22140(10) .8794(3) .2127(3) .0760(10)
C(36) .28440(10) .9279(2) .3150(2) .0600(10)
H(11) .6657 .9599 .6075 ?
H(12) .6410 1.2529 .6434 ?
H(13A) .7926 1.1276 .6389 ?
H(13B) .7810 1.2915 .6559 ?
H(14A) .8513 1.1810 .8380 ?
H(14B) .7648 1.2456 .8372 ?
H(15A) .7888 .9556 .7989 ?
H(15B) .7786 1.0145 .9142 ?
H(16A) .6388 1.0822 .8034 ?
H(16B) .6476 .9169 .7873 ?
H(22) .4441 .5691 .4773 ?
H(23) .4792 .3512 .5811 ?
H(24) .5295 .3522 .7867 ?
H(25) .5455 .5678 .8890 ?
H(26) .5073 .7880 .7862 ?
H(32) .4438 .9214 .2161 ?
H(33) .3383 .8315 .0483 ?
H(34) .1972 .8137 .0437 ?
H(35) .1635 .8699 .2109 ?
H(36) .2717 .9509 .3850 ?
