#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/03/2000359.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_2000359
loop_
_publ_author_name
'Lloyd, B. A.'
'Arif, A. M.'
'Allred, E. L.'
_publ_section_title
;
 Pyramidalization in a tetracyclic perpendicular diene derivative
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2147
_journal_page_last               2151
_journal_paper_doi               10.1107/S0108270192003809
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H20 O2'
_chemical_formula_weight         232.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.656(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.3620(10)
_cell_length_b                   6.7030(10)
_cell_length_c                   20.0110(10)
_cell_volume                     2445.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    0.6088
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_F_000             1008
_cod_data_source_file            hh0596.cif
_cod_data_source_block           hh0596a
_cod_original_cell_volume        2445.59
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2000359
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O(1) .56011(7) .2701(2) .52507(7)
O(2) .65126(7) .4793(2) .59396(7)
C(1) .60450(10) .5189(3) .46110(10)
C(2) .68080(10) .6214(3) .47700(10)
C(3) .70670(10) .6888(3) .41530(10)
C(4) .78030(10) .8018(4) .45090(10)
C(5) .83510(10) .6301(4) .48620(10)
C(6) .78680(10) .4399(3) .46710(10)
C(7) .73630(10) .4491(3) .51260(10)
C(8) .68510(10) .2696(3) .51130(10)
C(9) .64390(10) .2138(3) .43490(10)
C(10) .59660(10) .3588(3) .40600(10)
C(11) .62250(10) .3820(3) .52780(10)
C(12) .73750(10) .5018(3) .39400(10)
C(13) .73300(10) .4349(4) .33030(10)
C(14) .57600(10) .0982(4) .57010(10)
C(15) .59690(10) .5856(4) .61440(10)
H(1) .562(2) .615(6) .454(2)
H(3) .670(2) .762(6) .377(2)
H(6) .814(2) .309(6) .471(2)
H(8) .710(2) .159(6) .545(2)
H(9) .655(2) .095(6) .410(2)
H(10) .564(2) .370(6) .355(2)
H(13a) .762(2) .319(6) .328(2)
H(13b) .701(2) .501(6) .284(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1) C(2) 1.562(2)
C(1) C(11) 1.559(2)
C(2) C(7) 1.576(2)
C(3) C(12) 1.509(2)
C(5) C(6) 1.551(2)
C(6) C(12) 1.510(2)
C(8) C(9) 1.514(2)
C(9) C(10) 1.328(2)
C(11) O(2) 1.411(2)
C(14) O(1) 1.432(2)
C(1) C(10) 1.510(2)
C(2) C(3) 1.549(2)
C(3) C(4) 1.558(2)
C(4) C(5) 1.563(2)
C(6) C(7) 1.546(2)
C(7) C(8) 1.553(2)
C(8) C(11) 1.554(2)
C(11) O(1) 1.407(2)
C(12) C(13) 1.327(2)
C(15) O(2) 1.440(2)
