data_2002928
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     1999
_journal_volume     B55
_journal_page_first     85
_journal_page_last     94
loop_
    _publ_author_name
    'Kaduk, J.A.'
    'Golab, J.T.'
_chemical_formula_sum     'C12 H12'
_chemical_formula_weight     156
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P b c a'
_symmetry_space_group_name_Hall     '-P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,-z'
    '1/2+x,y,1/2-z'
    '-1/2-x,-y,-1/2+z'
    'x,1/2-y,1/2+z'
    '-x,-1/2+y,-1/2-z'
    '1/2-x,1/2+y,z'
    '-1/2+x,-1/2-y,-z'
_cell_length_a     7.4544(4)
_cell_length_b     6.0826(6)
_cell_length_c     20.0946(12)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     911.12(11)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     ?
_exptl_crystal_density_meas     ?
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     ?
_diffrn_radiation_type     Cu
_diffrn_radiation_wavelength     1.5406
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    C1 .0747(7) -.2245(5) .05524(16) .0327(14)
    C2 .0291(7) -.1401(7) .11735(10) .0327(14)
    C3 -.0501(8) .0665(7) .12223(11) .0327(14)
    C4 -.0836(5) .1887(5) .06499(17) .0327(14)
    C5 -.0379(8) .1043(6) .00288(12) .0327(14)
    C6 .0691(9) -.2765(11) .1796(2) .0327(14)
    H1 .13727 -.36194 .05223 .05
    H3 -.08499 .12338 .16486 .05
    H4 -.14077 .32956 .06804 .05
    H6a .02582 -.19759 .21882 .05
    H6b .00317 -.41330 .17655 .05
    H6c .19233 -.30354 .18314 .05