data_2000632
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1698
_journal_page_last  1699
loop_
_publ_author_name
 'Okabe, N.'
 'Mori, S.'
_chemical_formula_moiety  'C9 H14 N1 O2,Cl1 O4'
_chemical_formula_sum  'C9 H14 Cl1 N1 O6'
_chemical_formula_weight  267.67
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P 1'
_symmetry_space_group_name_Hall  'P 1'
_cell_length_a  8.075(2)
_cell_length_b  10.086(3)
_cell_length_c  7.465(2)
_cell_angle_alpha  92.17(3)
_cell_angle_beta  93.91(3)
_cell_angle_gamma  96.58(2)
_cell_volume  601.9(3)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.477
_exptl_crystal_density_meas  1.4830(10)
_exptl_crystal_F_000  278
_exptl_absorpt_coefficient_mu  0.329
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Cl(1) .7885(5) .0854(3) .2555(4)
 O(1) .4470(10)
     .7971(6) .2740(10)
 O(2) .6850(10)
     .6431(6) .3247(8)
 O(3) .9000(10)
     .0550(10)
       .1400(10)
 O(4) .751(2) -.0070(10)
        .362(2)
 O(5) .836(2) .1970(10)
       .353(2)
 O(6) .637(2) .0800(10)
       .142(2)
 N(1) .255(2) .0181(9) .241(2)
 C(1) .3370(10)
     .3897(8) .1640(10)
 C(2) .493(2) .4423(9) .2280(10)
 C(3) .5310(10)
     .5775(8) .2640(10)
 C(4) .411(2) .6617(9) .2410(10)
 C(5) .254(2) .6070(10)
       .180(2)
 C(6) .211(2) .4740(10)
       .1410(10)
 C(7) .300(2) .2410(10)
       .1230(10)
 C(8) .291(2) .1639(9) .2880(10)
 C(9) .815(2) .565(2) .368(2)
 H(1) .57(2) .800(10)
        .340(10)
 H(2) .580(10)
    .394(6) .243(8)
 H(5) .201(8) .642(5) .162(7)
 H(6) .104(9) .440(6) .101(8)
 H(7A) .220(10)
     .217(6) .067(9)
 H(7B) .36(2) .200(10)
      .040(10)
 H(8A) .200(10)
     .189(6) .349(8)
 H(8B) .420(10)
     .169(7) .370(10)
 H(9A) .76(2) .520(10)
      .44(2)
 H(9B) .820(10)
     .504(7) .280(10)
 H(9C) .910(10)
     .630(10)
      .410(10)
 H(10A) .150(10)
      -.008(7) .190(10)
 H(10B) .240(10)
      -.010(10)
        .330(10)
 H(10C) .33(2) -.04(2) .22(2)