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#$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2101880.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_2101880
loop_
_publ_author_name
'Sa\~n\'e, J.'
'Ruis, J.'
'Calvet, T.'
'Cuevas-Diarte, M. A.'
_publ_section_title
;
 Chiral Molecular Alloys: Patterson-Search Structure Determination of
 <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray
 Powder Diffraction Data at 218 K
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              702
_journal_page_last               707
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C10 H14 O'
_chemical_formula_weight         150.01
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n -2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.9744(3)
_cell_length_b                   6.8094(6)
_cell_length_c                   20.038(7)
_cell_measurement_reflns_used    79
_cell_volume                     951.6(3)
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.51
_exptl_crystal_density_diffrn    1.040
_[local]_cod_data_source_file    na0078.cif
_[local]_cod_data_source_block   na0078b
_[local]_cod_chemical_formula_sum_orig 'C10 H14 O1'
_cod_original_cell_volume        951.6(4)
_cod_database_code               2101880
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C1 .0077 .2302 .2035 0.5
C2 .0018 .4225 .2356 0.5
C3 .0296 .4341 .3103 0.5
C4 -.0641 .2531 .3440 0.5
C5 .0251 .0654 .3147 0.5
C6 .0205 .0692 .2400 0.5
C7 .0047 .2228 .1275 0.5
C8 -.0469 .2561 .4192 0.5
C9 -.1873 .1822 .4562 0.5
C10 .1280 .3263 .4481 0.5
O1 -.0057 .5614 .2026 0.5