#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000405.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_2000405
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2255
_journal_page_last  2257
loop_
_publ_author_name
 'Centore, R.'
 'Ciajolo, M.R.'
 'Tuzi, A.'
_chemical_formula_sum  'C20 H20 O8'
_chemical_formula_weight  388.38
_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  7.0020(10)
_cell_length_b  9.253(2)
_cell_length_c  14.869(3)
_cell_angle_alpha  90.
_cell_angle_beta  104.830(10)
_cell_angle_gamma  90.
_cell_volume  931(2)
_cell_formula_units_Z  2
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  15
_cell_measurement_theta_max  28
_cell_measurement_temperature  293
_exptl_crystal_description  'Prism'
_exptl_crystal_colour  'Colorless'
_exptl_crystal_size_max  0.44
_exptl_crystal_size_mid  0.25
_exptl_crystal_size_min  0.12
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  1.385
_exptl_crystal_density_meas  ?
_exptl_absorpt_coefficient_mu  0.8678
_exptl_absorpt_correction_type  'none'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_diffrn_radiation_type  'CuK\a'
_diffrn_radiation_wavelength  1.54178
_diffrn_measurement_device  'Enraf-Nonius'
_diffrn_measurement_method  '\w/\q'
_diffrn_reflns_number  2042
_diffrn_reflns_av_R_equivalents  'R~int~ ?'
_diffrn_reflns_theta_max  69.93
_diffrn_reflns_limit_h_min  0
_diffrn_reflns_limit_h_max  8
_diffrn_reflns_limit_k_min  0
_diffrn_reflns_limit_k_max  11
_diffrn_reflns_limit_l_min  -18
_diffrn_reflns_limit_l_max  18
_diffrn_standards_number  2
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time  'monitored every ? reflections/minutes'
_diffrn_standards_decay_%  <=0.5
_reflns_number_total  1760
_reflns_number_observed  1423
_reflns_observed_criterion  I>3\s(I)
_refine_ls_structure_factor_coef  F
_refine_ls_R_factor_obs  0.054
_refine_ls_wR_factor_obs  0.065
_refine_ls_goodness_of_fit_obs  2.904
_refine_ls_number_reflns  1423
_refine_ls_number_parameters  167
_refine_ls_hydrogen_treatment  'refall'
_refine_ls_weighting_scheme
;
4F~o~^2^/[\s^2^(F~o~^2^)+(0.02F~o~^2^)^2^]
;
_refine_ls_shift/esd_max  0.03
_refine_diff_density_max  0.21
_refine_diff_density_min  -0.26
_refine_ls_extinction_method  ?
_refine_ls_extinction_coef  ?
_atom_type_scat_source  'IntTabIV'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 1.4706(2) .1670(2) .43390(10)
           0.0750(6)
 O2 1.2692(2) -.0131(2) .44080(10)
         0.0784(6)
 O3 .5545(3) .0035(2) .2411(2) 0.1058(6)
 O4 .4951(2) .1762(2) .13350(10)
          0.0641(5)
 C1 1.2985(3) .1026(2) .4097(2) 0.0551(6)
 C2 1.1436(3) .1869(3) .3421(2) 0.0587(6)
 C3 .9495(3) .1064(3) .3118(2) 0.0673(9)
 C4 .7886(3) .1967(3) .2497(2) 0.0612(6)
 C5 .6036(3) .1124(3) .2107(2) 0.0592(6)
 C6 .3054(3) .1246(3) .0899(2) 0.0525(6)
 C7 .2736(3) -.0085(3) .0517(2) 0.0534(6)
 C8 .0787(3) -.0495(2) .00350(10)
           0.0476(6)
 C9 .1523(3) .2242(3) .0840(2) 0.0582(6)
 C10 -.0362(3) .1872(3) .0377(2) 0.0570(6)
 H(O1) 1.556(4) .105(3) .480(2) 0.090(10)
 H1C2 1.127(3) .279(2) .376(2) 0.034(6)
 H2C2 1.194(4) .208(3) .294(2) 0.058(9)
 H1C3 .967(4) .021(3) .276(2) 0.062(9)
 H2C3 .907(4) .066(3) .365(2) 0.080(10)
 H1C4 .829(4) .246(3) .201(2) 0.063(9)
 H2C4 .747(4) .285(3) .284(2) 0.056(9)
 H(C7) .379(3) -.076(2) .0560(10)
           0.029(6)
 H(C9) .186(3) .318(2) .111(2) 0.038(6)
 H(C10) -.140(3) .256(3) .033(2) 0.044(9)