#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005229.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_2005229
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first             1983
_journal_page_last              1985
_publ_section_title
;
A Tetralin Derivative
;
_chemical_formula_sum          'C18 H18 O2'
_chemical_formula_structural    'C18 H18 O2'
_chemical_formula_weight        266.33
_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                  7.947(2)
_cell_length_b                  11.949(3)
_cell_length_c                  7.749(2)
_cell_angle_alpha               106.19(2)
_cell_angle_beta                96.79(2)
_cell_angle_gamma               84.70(2)
_cell_volume                    700.3(3)
_cell_formula_units_Z           2
_exptl_crystal_density_diffrn   1.263
_exptl_crystal_density_meas     1.25(2)
_cell_measurement_temperature   293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
O1              .3512(2)        .3688(1)        .8720(2)        .0452(7)
O4              -.0382(2)       .6376(1)        1.3648(2)       .0550(9)
C1              .3892(2)        .2959(2)        .9913(2)        .0381(9)
C2              .2955(2)        .3488(2)        1.1660(2)       .0380(9)
C3              .3290(3)        .2639(2)        1.2872(3)       .049(1)
C4              .2651(4)        .1439(2)        1.1949(3)       .062(1)
C5              .2802(3)        .1017(2)        .9941(3)        .047(1)
C6              .2282(3)        -.0092(2)       .8995(3)        .062(1)
C7              .2355(4)        -.0510(2)       .7166(3)        .067(2)
C8              .2966(4)        .0167(2)        .6226(3)        .064(2)
C9              .3457(3)        .1273(2)        .7128(3)        .052(1)
C10             .3384(2)        .1719(2)        .8988(2)        .041(1)
C11             .5825(2)        .3007(2)        1.0397(3)       .046(1)
C12             .6880(2)        .2503(2)        .8911(3)        .045(1)
C13             .7845(3)        .2117(2)        .7820(3)        .059(1)
C1'             .0566(2)        .5502(2)        1.3170(2)       .045(1)
C2'             .2350(3)        .5417(2)        1.4031(3)       .046(1)
C3'             .3549(2)        .4702(2)        1.2675(3)       .042(1)
C4'             .1083(2)        .3575(2)        1.1089(2)       .041(1)
C5'             .0019(2)        .4479(2)        1.1764(2)       .045(1)
H1O             .249(4)         .348(3)         .812(4)         .10(1)
H3a             .454(3)         .259(2)         1.328(3)        .063(6)
H3b             .273(3)         .296(2)         1.395(3)        .057(6)
H4a             .131(4)         .142(2)         1.211(4)        .082(8)
H4b             .336(3)         .085(2)         1.248(4)        .084(8)
H6              .184(3)         -.052(2)        .970(4)         .077(8)
H7              .191(3)         -0.128(2)       .653(3)         .072(7)
H8              .303(3)         -.013(2)        .488(4)         .068(7)
H9              .391(3)         .176(2)         .648(3)         .058(6)
H11a            .608(3)         .256(2)         1.131(3)        .068(7)
H11b            .608(3)         .386(2)         1.090(3)        .059(6)
H13             .858(4)         .183(2)         .695(4)         .076(8)
H2a'            .275(3)         .621(2)         1.454(3)        .054(6)
H2b'            .230(3)         .504(2)         1.500(3)        .057(6)
H3a'            .367(3)         .516(2)         1.180(3)        .057(6)
H3b'            .467(3)         .463(2)         1.331(3)        .051(5)
H4'             .064(3)         .290(2)         1.014(3)        .047(5)
H5'             -0.115(3)       .445(2)         1.134(3)        .051(6)