#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2200623.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_2200623
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o1139
_journal_page_last  o1140
_publ_section_title
;
1,3,1',3'-tetrahydro-[2,2']biindenylidene
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_publ_author_name
  'Jovanovic, Jovan'
  'Sch\"urmann, Markus'
  'Preut, Hans'
  'Spiteller, Michael'
_chemical_formula_sum  'C18 H16'
_chemical_formula_weight  232.31
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  7.5489(2)
_cell_length_b  4.8968(2)
_cell_length_c  17.0874(6)
_cell_angle_alpha  90.00
_cell_angle_beta  93.8964(19)
_cell_angle_gamma  90.00
_cell_volume  630.18(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  291.0(10)
_exptl_crystal_density_diffrn  1.224
_diffrn_ambient_temperature  291.0(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  C1  -.04106(14)  .2312(2)  .41503(6)  .0462(3) Uani d . 1 . . C
  H1A  -.1155  .0974  .4388  .055 Uiso calc R 1 . . H
  H1B  -.1125  .3322  .3756  .055 Uiso calc R 1 . . H
  C2  .04381(13)  .4218(2)  .47638(6)  .0400(3) Uani d . 1 . . C
  C3  .24464(13)  .4048(2)  .47513(6)  .0444(3) Uani d . 1 . . C
  H3A  .2943  .5792  .4610  .053 Uiso calc R 1 . . H
  H3B  .2981  .3494  .5259  .053 Uiso calc R 1 . . H
  C4  .27381(14)  .1926(2)  .41388(6)  .0420(3) Uani d . 1 . . C
  C5  .43312(16)  .0915(2)  .38983(7)  .0533(3) Uani d . 1 . . C
  H5  .5406  .1561  .4125  .064 Uiso calc R 1 . . H
  C6  .43056(17)  -.1065(3)  .33175(7)  .0578(4) Uani d . 1 . . C
  H6  .5368  -.1752  .3154  .069 Uiso calc R 1 . . H
  C7  .27106(17)  -.2021(3)  .29802(7)  .0581(4) Uani d . 1 . . C
  H7  .2706  -.3350  .2591  .070 Uiso calc R 1 . . H
  C8  .11215(16)  -.1020(2)  .32161(6)  .0513(3) Uani d . 1 . . C
  H8  .0050  -.1666  .2987  .062 Uiso calc R 1 . . H
  C9  .11386(14)  .0955(2)  .37976(6)  .0417(3) Uani d . 1 . . C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  C1  .0433(6)  .0463(7)  .0485(6)  .0002(5)  -.0003(5)  -.0018(5)
  C2  .0417(6)  .0376(6)  .0407(6)  -.0013(4)  .0024(4)  .0027(5)
  C3  .0416(7)  .0429(7)  .0486(6)  -.0022(5)  .0019(5)  -.0006(5)
  C4  .0428(7)  .0383(6)  .0455(6)  .0001(5)  .0069(5)  .0033(5)
  C5  .0462(7)  .0513(7)  .0636(7)  -.0026(5)  .0121(6)  .0008(6)
  C6  .0595(8)  .0546(8)  .0618(8)  .0079(6)  .0237(7)  .0007(6)
  C7  .0743(10)  .0530(8)  .0479(7)  .0067(6)  .0108(7)  -.0054(6)
  C8  .0576(8)  .0497(8)  .0460(6)  .0013(5)  -.0015(6)  -.0036(6)
  C9  .0454(6)  .0394(6)  .0405(6)  .0018(5)  .0034(5)  .0025(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  C1 C9 . 1.5060(15) ?
  C1 C2 . 1.5129(16) ?
  C1 H1A .  .970 ?
  C1 H1B .  .970 ?
  C2 C2 3_566 1.322(2) ?
  C2 C3 . 1.5199(14) ?
  C3 C4 . 1.5016(15) ?
  C3 H3A .  .970 ?
  C3 H3B .  .970 ?
  C4 C5 . 1.3883(15) ?
  C4 C9 . 1.3886(15) ?
  C5 C6 . 1.3867(16) ?
  C5 H5 .  .930 ?
  C6 C7 . 1.3808(17) ?
  C6 H6 .  .930 ?
  C7 C8 . 1.3810(15) ?
  C7 H7 .  .930 ?
  C8 C9 . 1.3862(16) ?
  C8 H8 .  .930 ?