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#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000162.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_2000162
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2706
_journal_page_last  2708
loop_
_publ_author_name
 'Zukerman-Schpector, J.'
 'Castellano, E.E.'
 'Brocksom, T.J.'
 'Moreira, L.A.'
_chemical_formula_sum  'C14 H20 Cl2 O3'
_chemical_formula_weight  307.22
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  7.0329(7)
_cell_length_b  9.983(2)
_cell_length_c  22.644(6)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1589.8(9)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.284
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  648
_exptl_absorpt_coefficient_mu  0.41
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cl(1) -.2772(2) -.02170(10)   -.30460(10)
 Cl(2) -.5136(3) -.2202(2) -.24910(10)
 O(1) -.0427(8) -.1997(5) -.2099(2)
 O(2) -.5903(4) -.1986(3) -.38700(10)
 O(3) -.6046(5) -.1050(4) -.4763(2)
 C(1) -.1350(10)   -.2489(6) -.2491(3)
 C(2) -.2962(8) -.1915(5) -.2866(2)
 C(3) -.2456(7) -.3004(4) -.3344(2)
 C(4) -.1274(8) -.3727(6) -.2852(3)
 C(5) -.1113(7) -.2404(6) -.3801(3)
 C(6) -.7380(10)   -.6298(5) -.4824(3)
 C(7) -.6299(6) -.0999(5) -.4235(2)
 C(8) -.7149(7) .0186(5) -.3923(2)
 C(1') -.3993(5) -.3874(4) -.3619(2)
 C(2') -.5089(6) -.3197(4) -.4114(2)
 C(3') -.6646(6) -.4094(4) -.4352(2)
 C(4') -.5849(7) -.5405(5) -.4585(2)
 C(5') -.4724(7) -.6092(5) -.4103(2)
 C(6') -.3194(6) -.5195(5) -.3856(2)
 H(4) -.1885 -.4543 -.2700
 H'(4) .0002 -.4040 -.2977
 H(5) -.0167 -.1848 -.3617
 H'(5) -.1806 -.1833 -.4076
 H"(5) -.4070 -.3066 -.4032
 H(6) -.8127 -.5874 -.5123
 H'(6) -.8277 -.6532 -.4504
 H"(6) -.6903 -.7121 -.4973
 H(8) -.7465 .0889 -.4188
 H'(8) -.6316 .0529 -.3626
 H"(8) -.8330 -.0066 -.3720
 H(1') -.4806 -.4063 -.3293
 H(2') -.4238 -.3036 -.4444
 H(3') -.7524 -.4284 -.4037
 H'(3') -.7330 -.3635 -.4657
 H(4') -.5037 -.5218 -.4919
 H(5') -.5522 -.6333 -.3779
 H'(5') -.4124 -.6899 -.4246
 H(6') -.2315 -.4972 -.4182
 H'(6') -.2462 -.5637 -.3564