#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/02/2000251.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_2000251
loop_
_publ_author_name
'Barnes, J. C.'
'Paton, J. D.'
'Blyth, C. S.'
'Howie, R. A.'
_publ_section_title
;
 Camphoric acid and ammonium hydrogen camphorate monohydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1888
_journal_page_last               1892
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C10 H20 N O5'
_[local]_cod_chemical_formula_sum_orig 'C10 H20 N1 O5'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   13.013(5)
_cell_length_b                   13.013(5)
_cell_length_c                   6.326(7)
_cell_volume                     927.71
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    .063
_exptl_crystal_density_diffrn    1.26
_exptl_crystal_F_000             381
_[local]_cod_data_source_file    li0059.cif
_[local]_cod_data_source_block   li0059b
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 .7057(6) -.2617(7) .1471 .037(2)
C2 .6316(6) -.1983(6) .0782(16) .037(2)
C3 .7373(6) -.0736(6) .0197(16) .034(2)
C4 .8301(8) -.0969(7) -.0870(17) .047(2)
C5 .8040(7) -.2203(8) -.0161(17) .046(2)
C6 .7588(7) -.2244(8) .3644(18) .053(3)
C7 .6263(7) -.3977(7) .1498(17) .041(2)
O8 .5379(6) -.4368(5) .2764(15) .061(2)
O9 .6463(5) -.4634(5) .0429(15) .055(2)
C10 .5530(7) -.2628(7) -.1111(18) .049(3)
C11 .5551(8) -.1902(8) .2476(17) .051(3)
C12 .6986(7) -.0002(7) -.1066(18) .041(2)
O13 .6594(5) .0570(5) -.0083(15) .0440(10)
O14 .7033(6) -.0022(6) -.3022(15) .066(2)
N15 .6657(6) .1285(6) -.5929(16) .046(2)
O16 .7209(6) .2960(5) -.0687(15) .068(2)
H31 .7768 -.0182 .1569 ?
H41 .9184 -.0306 -.0384 ?
H42 .8230 -.0945 -.2568 ?
H51 .8823 -.2153 .0531 ?
H52 .7753 -.2805 -.1489 ?
H61 .8154 -.1292 .3689 ?
H62 .8105 -.2662 .4009 ?
H63 .6886 -.2512 .4794 ?
H101 .6064 -.2696 -.2350 ?
H102 .5118 -.2139 -.1685 ?
H103 .4852 -.3506 -.0638 ?
H111 .6092 -.1447 .3834 ?
H112 .4873 -.2784 .2929 ?
H113 .5139 -.1416 .1882 ?
H151 .6906 .0890 -.4721 ?
H152 .7301 .1927 -.5448 ?
H153 .5824 .1264 -.5705 ?
H154 .6707 .1021 -.7528 ?
_cod_database_code 2000251