#------------------------------------------------------------------------------
#$Date: 2016-02-19 15:29:56 +0100 (vie 19 de feb de 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/11/2001100.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_2001100
loop_
_publ_author_name
'Thompson, H. W.'
'Lalancette, R. A.'
'Vanderhoff, P. A.'
_publ_section_title
;
 9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and
 hydrogen-bonding pattern
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              66
_journal_page_last               70
_journal_paper_doi               10.1107/S010827019100330X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H14 O3'
_chemical_formula_weight         182.220
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.795(2)
_cell_length_b                   13.178(2)
_cell_length_c                   11.092(2)
_cell_volume                     1870.2(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.780
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_meas      1.260(10)
_exptl_crystal_F_000             784
_cod_data_source_file            cr0251.cif
_cod_data_source_block           cr0251a
_cod_original_cell_volume        1891.8(4)
_cod_database_code               2001100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .7732(3) .1523(3) .5000
O(2) .5458(2) .0894(2) .5999(2)
C(9) .7267(4) .2317(4) .5000
C(5) .7781(5) .3335(4) .5000
C(4) .7469(5) .3899(4) .6157(5)
C(3) .6328(5) .3926(4) .6389(4)
C(2) .5762(3) .2941(3) .6152(4)
C(1) .6092(3) .2385(3) .5000
C(10) .5644(4) .1314(4) .5000
H(C5) .8530 .3250 .5000
H(C4) .7760 .4572 .6159
H'(C4) .7808 .3582 .6839
H(C3) .6013 .4459 .5875
H'(C3) .6175 .4175 .7179
H(C2) .5021 .3043 .6148
H'(C2) .5863 .2504 .6833
