#------------------------------------------------------------------------------
#$Date: 2011-01-02 22:00:31 +0200 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012732.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_2012732
loop_
_publ_author_name
'Eriksson, Lars'
'Stenutz, Roland'
'Widmalm, G\"oran'
_publ_section_title
;
Methyl 2-O-\b-D-glucopyranosyl-\a-L-rhamnopyranoside
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              o328
_journal_page_last               o329
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C13 H24 O10'
_chemical_formula_sum            'C13 H24 O10'
_chemical_formula_weight         340.32
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.46(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.180(4)
_cell_length_b                   8.430(5)
_cell_length_c                   12.688(10)
_cell_measurement_temperature    293(2)
_cell_volume                     752.6(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.502
_[local]_cod_cif_authors_sg_H-M  'P 21'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_refinement_flags' value 'r' changed to 'R' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (22 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2012732
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
C1r 0.3258(5) 0.6045(4) 0.8460(3) 0.0161(7) Uani d . 1 . . C
H1r 0.4374 0.6457 0.8958 0.019 Uiso calc R 1 . . H
C2r 0.3098(5) 0.6885(4) 0.7392(3) 0.0139(7) Uani d . 1 . . C
H2r 0.4189 0.6602 0.7073 0.017 Uiso calc R 1 . . H
O2r 0.3103(3) 0.8577(3) 0.75763(19) 0.0185(6) Uani d . 1 . . O
C3r 0.1239(4) 0.6417(4) 0.6609(3) 0.0159(7) Uani d . 1 . . C
H3r 0.1268 0.5276 0.6464 0.019 Uiso calc R 1 . . H
O3r 0.1048(3) 0.7262(2) 0.5610(2) 0.0170(5) Uani d D 1 . . O
HO3r 0.103(6) 0.8220(9) 0.572(3) 0.026 Uiso d D 1 . . H
C4r -0.0415(5) 0.6765(4) 0.7169(3) 0.0158(8) Uani d . 1 . . C
H4r -0.0378 0.7896 0.7351 0.019 Uiso calc R 1 . . H
O4r -0.2220(3) 0.6438(3) 0.64683(19) 0.0178(6) Uani d . 1 . . O
HO4r -0.2367 0.5476 0.6402 0.023 Uiso calc R 1 . . H
C5r -0.0151(5) 0.5823(4) 0.8211(3) 0.0164(8) Uani d . 1 . . C
H5r -0.0080 0.4687 0.8059 0.020 Uiso calc R 1 . . H
O5r 0.1595(3) 0.6339(3) 0.89106(18) 0.0164(5) Uani d . 1 . . O
Om 0.3539(3) 0.4447(3) 0.8294(2) 0.0173(5) Uani d . 1 . . O
Cm 0.3868(6) 0.3518(5) 0.9270(3) 0.0231(8) Uani d . 1 . . C
HmA 0.4201 0.2453 0.9112 0.035 Uiso calc R 1 . . H
HmB 0.2736 0.3502 0.9564 0.035 Uiso calc R 1 . . H
HmC 0.4888 0.3980 0.9782 0.035 Uiso calc R 1 . . H
C6r -0.1757(5) 0.6135(5) 0.8816(3) 0.0183(7) Uani d . 1 . . C
H7rA -0.1430 0.5687 0.9525 0.027 Uiso calc R 1 . . H
H7rB -0.2908 0.5655 0.8435 0.027 Uiso calc R 1 . . H
H7rC -0.1942 0.7258 0.8870 0.027 Uiso calc R 1 . . H
C1g 0.4264(5) 0.9485(4) 0.7032(3) 0.0167(8) Uani d . 1 . . C
H1g 0.4666 0.8851 0.6469 0.020 Uiso calc R 1 . . H
C2g 0.3191(5) 1.0972(4) 0.6546(3) 0.0153(7) Uani d . 1 . . C
H2g 0.2876 1.1637 0.7120 0.018 Uiso calc R 1 . . H
O2g 0.1459(3) 1.0434(3) 0.5841(2) 0.0198(6) Uani d D 1 . . O
HO2g 0.1256 1.0976 0.5293 0.030 Uiso calc R 1 . . H
C3g 0.4465(5) 1.1878(4) 0.5940(3) 0.0151(7) Uani d . 1 . . C
H3g 0.4818 1.1176 0.5396 0.018 Uiso calc R 1 . . H
O3g 0.3557(4) 1.3248(3) 0.5418(2) 0.0194(6) Uani d . 1 . . O
HO3g 0.3159 1.3052 0.4780 0.029 Uiso calc rD 1 . . H
C4g 0.6290(5) 1.2355(4) 0.6750(3) 0.0158(7) Uani d . 1 . . C
H4g 0.5930 1.3064 0.7288 0.019 Uiso calc R 1 . . H
O4g 0.7620(3) 1.3174(3) 0.6235(2) 0.0181(6) Uani d . 1 . . O
HO4g 0.7542 1.2829 0.5623 0.027 Uiso calc R 1 . . H
C5g 0.7211(5) 1.0859(4) 0.7327(3) 0.0176(8) Uani d . 1 . . C
H5g 0.7628 1.0173 0.6795 0.021 Uiso calc R 1 . . H
O5g 0.5886(3) 0.9994(3) 0.7813(2) 0.0184(6) Uani d . 1 . . O
C6g 0.8932(5) 1.1232(5) 0.8216(3) 0.0195(8) Uani d . 1 . . C
H6gA 0.9362 1.0265 0.8602 0.023 Uiso calc R 1 . . H
H6gB 0.9959 1.1624 0.7893 0.023 Uiso calc R 1 . . H
O6g 0.8504(4) 1.2380(3) 0.8954(2) 0.0218(6) Uani d . 1 . . O
HO6g 0.8449 1.1946 0.9525 0.033 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
C1r 0.0090(16) 0.0190(18) 0.0213(18) -0.0040(14) 0.0057(14) -0.0014(16)
C2r 0.0101(16) 0.0114(18) 0.0199(18) 0.0018(13) 0.0021(14) 0.0002(14)
O2r 0.0149(13) 0.0192(13) 0.0221(13) -0.0026(10) 0.0051(11) -0.0004(11)
C3r 0.0108(17) 0.0189(18) 0.0180(17) -0.0011(15) 0.0030(15) -0.0022(15)
O3r 0.0143(12) 0.0168(13) 0.0205(12) 0.0002(11) 0.0048(10) 0.0008(11)
C4r 0.0116(17) 0.0144(17) 0.0209(18) 0.0012(13) 0.0023(15) -0.0002(14)
O4r 0.0125(12) 0.0181(13) 0.0221(13) -0.0013(10) 0.0016(11) -0.0012(11)
C5r 0.0100(16) 0.0201(19) 0.0180(18) -0.0015(13) 0.0001(15) -0.0020(15)
O5r 0.0115(12) 0.0184(13) 0.0196(12) 0.0014(10) 0.0037(10) -0.0005(11)
Om 0.0142(12) 0.0159(12) 0.0224(13) 0.0012(10) 0.0049(10) 0.0006(11)
Cm 0.025(2) 0.021(2) 0.0232(19) 0.0020(17) 0.0050(17) 0.0029(17)
C6r 0.0181(17) 0.0182(18) 0.0197(17) 0.0021(16) 0.0065(15) 0.0028(16)
C1g 0.0126(17) 0.0169(19) 0.0199(18) -0.0042(15) 0.0015(14) 0.0006(16)
C2g 0.0105(16) 0.0137(18) 0.0209(17) -0.0037(14) 0.0015(14) -0.0011(15)
O2g 0.0137(12) 0.0179(14) 0.0257(14) -0.0019(11) -0.0013(11) 0.0028(11)
C3g 0.0110(16) 0.0141(18) 0.0204(18) -0.0018(13) 0.0035(15) -0.0001(14)
O3g 0.0174(13) 0.0171(13) 0.0227(13) 0.0007(11) 0.0014(11) 0.0013(11)
C4g 0.0129(17) 0.0173(18) 0.0180(17) -0.0028(15) 0.0053(15) 0.0004(16)
O4g 0.0133(12) 0.0196(14) 0.0221(13) -0.0018(10) 0.0055(11) 0.0018(11)
C5g 0.0140(17) 0.018(2) 0.0210(18) -0.0013(14) 0.0030(15) 0.0027(16)
O5g 0.0124(11) 0.0195(13) 0.0229(13) -0.0006(10) 0.0023(10) 0.0003(11)
C6g 0.0200(18) 0.0151(18) 0.0235(19) -0.0014(16) 0.0044(16) -0.0006(16)
O6g 0.0215(13) 0.0203(14) 0.0227(13) -0.0011(11) 0.0023(12) 0.0026(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1r Om . 1.385(5) yes
C1r O5r . 1.443(4) ?
C1r C2r . 1.514(5) ?
C1r H1r . 0.9800 ?
C2r O2r . 1.445(4) yes
C2r C3r . 1.548(5) ?
C2r H2r . 0.9800 ?
O2r C1g . 1.409(4) yes
C3r O3r . 1.437(4) ?
C3r C4r . 1.528(4) ?
C3r H3r . 0.9800 ?
O3r HO3r . 0.820(12) ?
C4r O4r . 1.445(4) ?
C4r C5r . 1.522(5) ?
C4r H4r . 0.9800 ?
O4r HO4r . 0.8200 ?
C5r O5r . 1.452(4) ?
C5r C6r . 1.530(5) ?
C5r H5r . 0.9800 ?
Om Cm . 1.443(4) ?
Cm HmA . 0.9600 ?
Cm HmB . 0.9600 ?
Cm HmC . 0.9600 ?
C6r H7rA . 0.9600 ?
C6r H7rB . 0.9600 ?
C6r H7rC . 0.9600 ?
C1g O5g . 1.436(4) ?
C1g C2g . 1.535(5) ?
C1g H1g . 0.9800 ?
C2g O2g . 1.453(4) ?
C2g C3g . 1.513(5) ?
C2g H2g . 0.9800 ?
O2g HO2g . 0.8200 ?
C3g O3g . 1.423(4) ?
C3g C4g . 1.549(5) ?
C3g H3g . 0.9800 ?
O3g HO3g . 0.8200 ?
C4g O4g . 1.436(4) ?
C4g C5g . 1.540(5) ?
C4g H4g . 0.9800 ?
O4g HO4g . 0.8200 ?
C5g O5g . 1.432(4) ?
C5g C6g . 1.531(5) ?
C5g H5g . 0.9800 ?
C6g O6g . 1.421(4) ?
C6g H6gA . 0.9700 ?
C6g H6gB . 0.9700 ?
O6g HO6g . 0.8200 ?