#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005344.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2005344
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2311
_journal_page_last  2313
_publ_section_title
;
A Substituted cis,trans,cis,cis-[4.5.5.5]Fenestrene
;
_chemical_formula_moiety  'C14 H18 O2'
_chemical_formula_sum  'C14 H18 O2'
_chemical_formula_weight  218.28
_symmetry_cell_setting  triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_symmetry_space_group_name_H-M  'P -1'
_cell_length_a  5.618(4)
_cell_length_b  7.995(4)
_cell_length_c  13.428(6)
_cell_angle_alpha  77.85(4)
_cell_angle_beta  85.55(6)
_cell_angle_gamma  80.46(4)
_cell_volume  580.9(6)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.248
_cell_measurement_temperature  293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 1 0.5489(3) 0.6584(2) 0.40420(11) 0.0626(5)
 O2 1 0.1972(3) 0.6311(2) 0.48825(12) 0.0687(5)
 C1 1 0.3640(3) 0.9838(2) 0.27865(13) 0.0404(5)
 C2 1 0.5198(4) 1.0752(3) 0.3318(2) 0.0545(6)
 C3 1 0.3332(5) 1.2246(3) 0.3615(2) 0.0614(6)
 C4 1 0.1182(4) 1.2628(2) 0.2886(2) 0.0515(5)
 C5 1 0.0933(6) 1.4462(3) 0.2231(2) 0.0729(8)
 C6 1 0.3092(6) 1.4409(3) 0.1478(2) 0.0755(8)
 C7 1 0.3375(5) 1.2613(3) 0.1242(2) 0.0577(6)
 C8 1 0.1534(5) 1.2307(3) 0.0518(2) 0.0685(7)
 C9 1 0.0960(4) 1.0732(3) 0.13260(15) 0.0532(6)
 C10 1 0.2846(5) 0.9173(3) 0.1249(2) 0.0607(6)
 C11 1 0.4427(4) 0.8777(3) 0.1976(2) 0.0535(6)
 C12 1 0.2110(3) 1.1405(2) 0.21572(13) 0.0415(5)
 C13 1 0.2047(4) 0.8798(3) 0.3597(2) 0.0478(5)
 C14 1 0.3374(4) 0.7121(2) 0.41852(14) 0.0454(5)
 H21 1 0.6536(42) 1.1225(27) 0.2831(16) 0.071(7)
 H22 1 0.6020(36) 0.9981(24) 0.3930(15) 0.060(6)
 H31 1 0.4126(42) 1.3234(30) 0.3568(16) 0.073(7)
 H32 1 0.2727(38) 1.1914(26) 0.4322(16) 0.063(6)
 H4 1 -0.0284(34) 1.2402(22) 0.3300(14) 0.047(5)
 H51 1 0.0930(41) 1.5393(28) 0.2644(16) 0.079(7)
 H52 1 -0.0580(44) 1.4758(27) 0.1884(17) 0.070(7)
 H61 1 0.4617(48) 1.4564(29) 0.1850(19) 0.089(8)
 H62 1 0.2884(48) 1.5328(34) 0.0818(20) 0.103(9)
 H7 1 0.5061(39) 1.2202(26) 0.1056(15) 0.061(6)
 H81 1 0.2137(41) 1.2076(27) -0.0179(18) 0.076(7)
 H82 1 0.0064(39) 1.3164(26) 0.0475(15) 0.060(6)
 H9 1 -0.0823(40) 1.0465(25) 0.1421(15) 0.065(6)
 H10 1 0.2829(39) 0.8564(27) 0.0686(16) 0.068(6)
 H11 1 0.5730(36) 0.7904(24) 0.2036(13) 0.050(6)
 H131 1 0.0725(41) 0.8562(26) 0.3269(16) 0.069(7)
 H132 1 0.1264(39) 0.9463(27) 0.4113(16) 0.069(6)
 H 1 0.2929(52) 0.5290(40) 0.5275(22) 0.122(11)