#------------------------------------------------------------------------------
#$Date: 2009-11-16 01:43:51 +0000 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005314.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_2005314
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first  2285
_journal_page_last  2287
_publ_section_title
;
 Methyl 6-O-[(R)-1-Carboxyethyl]-\a-D-galactopyranoside
;
_chemical_formula_moiety  'C10 H18 O8'
_chemical_formula_sum  'C10 H18 O8'
_chemical_formula_weight  266.24
_symmetry_cell_setting  monoclinic
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z'
_cell_length_a  5.840(3)
_cell_length_b  8.063(6)
_cell_length_c  12.923(7)
_cell_angle_alpha  90.00
_cell_angle_beta  101.74(6)
_cell_angle_gamma  90.00
_cell_volume  595.8(6)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.484
_cell_measurement_temperature  293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1 1 0.5618(7) 0.9615(5) 1.1232(3) 0.0350(9)
 H1 1 0.3944(7) 0.9426(5) 1.0965(3) 0.042
 O1 1 0.6659(5) 0.8106(4) 1.1609(2) 0.0402(7)
 C10 1 0.5357(11) 0.7218(7) 1.2247(4) 0.0589(14)
 H10A 1 0.6150(11) 0.6201(7) 1.2482(4) 0.088
 H10B 1 0.3828(11) 0.6974(7) 1.1840(4) 0.088
 H10C 1 0.5215(11) 0.7879(7) 1.2848(4) 0.088
 C2 1 0.6719(7) 1.0163(5) 1.0314(3) 0.0329(9)
 H2A 1 0.5846(7) 1.1131(5) 0.9987(3) 0.040
 O2 1 0.6529(5) 0.8903(4) 0.9530(2) 0.0377(7)
 H2 1 0.5151(5) 0.8644(4) 0.9331(2) 0.056
 C3 1 0.9236(6) 1.0696(5) 1.0707(3) 0.0318(9)
 H3A 1 1.0139(6) 0.9724(5) 1.1008(3) 0.038
 O3 1 1.0239(5) 1.1320(4) 0.9872(2) 0.0412(8)
 H3 1 1.1597(5) 1.1595(4) 1.0105(2) 0.062
 C4 1 0.9383(7) 1.1993(5) 1.1572(3) 0.0346(9)
 H4A 1 1.1039(7) 1.2207(5) 1.1866(3) 0.041
 O4 1 0.8309(5) 1.3537(4) 1.1160(2) 0.0391(7)
 H4 1 0.7271(5) 1.3782(4) 1.1476(2) 0.059
 C5 1 0.8281(7) 1.1295(5) 1.2448(3) 0.0356(9)
 H5 1 0.9153(7) 1.0309(5) 1.2747(3) 0.043
 O5 1 0.5886(5) 1.0844(4) 1.2035(2) 0.0382(7)
 C6 1 0.8312(9) 1.2552(6) 1.3307(3) 0.0457(11)
 H6A 1 0.9808(9) 1.3119(6) 1.3452(3) 0.055
 H6B 1 0.7098(9) 1.3371(6) 1.3078(3) 0.055
 O6 1 0.7936(6) 1.1753(4) 1.4246(2) 0.0439(8)
 C7 1 0.6176(9) 1.3834(6) 1.5157(4) 0.0509(12)
 O7 1 0.6520(7) 1.5004(5) 1.5888(3) 0.0654(11)
 H7 1 0.5297(7) 1.5514(5) 1.5871(3) 0.098
 O8 1 0.4290(9) 1.3564(7) 1.4602(4) 0.111(2)
 C8 1 0.8316(8) 1.2850(6) 1.5137(3) 0.0451(11)
 H8 1 0.9587(8) 1.3614(6) 1.5076(3) 0.054
 C9 1 0.9055(11) 1.1828(7) 1.6126(4) 0.0608(15)
 H9A 1 1.0441(11) 1.1214(7) 1.6084(4) 0.091
 H9B 1 0.7824(11) 1.1072(7) 1.6193(4) 0.091
 H9C 1 0.9369(11) 1.2548(7) 1.6730(4) 0.091