#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000146.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_2000146
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2624
_journal_page_last  2626
loop_
_publ_author_name
 'Blaser, D.'
 'Stoeckli-Evans, H.'
_chemical_formula_sum  'C18 H15 Cl1 O6'
_chemical_formula_weight  362.8
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  4.3010(10)
_cell_length_b  22.832(3)
_cell_length_c  16.531(2)
_cell_angle_alpha  90
_cell_angle_beta  95.090(10)
_cell_angle_gamma  90
_cell_volume  1616.9
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.490
_exptl_crystal_density_meas  1.44
_exptl_crystal_F_000  752
_exptl_absorpt_coefficient_mu  0.26
_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 .1646(3) .62328(5) .23629(7)
 O(1) -.6872(7) .46650(13) .09701(17)
 O(2) -.4619(6) .38215(12) .11418(16)
 O(3) -.2373(6) .38003(11) .27841(14)
 O(4) .2806(10) .45658(15) .4617(2)
 O(5) .2979(9) .55288(14) .3765(2)
 O(6) .1567(7) .22248(13) .05423(16)
 C(1) -.2510(8) .46678(17) .1946(2)
 C(2) -.1500(9) .43802(16) .2658(2)
 C(3) .0251(10) .46512(17) .3303(2)
 C(4) .1228(10) .52369(17) .3190(3)
 C(5) .0320(10) .55209(16) .2462(2)
 C(6) -.1516(9) .52556(17) .1839(2)
 C(7) -.2266(8) .34347(16) .1422(2)
 C(8) -.1298(9) .30498(17) .0843(2)
 C(9) .0726(9) .26027(15) .1131(3)
 C(10) .1762(11) .25598(18) .1940(3)
 C(11) .0811(9) .29599(16) .2510(2)
 C(12) -.1215(9) .34009(16) .2232(2)
 C(13) -.4742(10) .44028(18) .1327(2)
 C(14) .1064(13) .4362(2)   .4070(3)
 C(15) -.2276(17) .5580(3)   .1057(3)
 C(16) -.2517(14) .3095(3) -.0034(3)
 C(17) .3473(15) .1733(2)   .0790(4)
 C(18) .1955(15) .2890(3) .3391(3)
 H(O5) .362(14) .527(3) .410(4)
 H(10) .312(9) .2264(18) .212(3)
 H(14) .004(10) .398(2)   .412(3)
 H(15A) -.408(14) .577(3) .105(3)
 H(15B) -.261(14) .532(3) .063(4)
 H(15C) -.081(15) .581(3) .101(4)
 H(16A) -.088(12) .313(2)   -.033(3)
 H(16B) -.379(13) .343(3) -.014(3)
 H(16C) -.338(17) .278(3) -.027(5)
 H(17A) .535(10) .1865(17) .108(2)
 H(17B) .251(11) .151(2)   .114(3)
 H(17C) .383(11) .150(2)   .026(3)
 H(18A) .268(14) .252(3) .348(4)
 H(18B) .349(11) .318(2)   .352(3)
 H(18C) .025(12) .299(2)   .373(3)