Information card for entry 2005314

Structure parameters

• Chemical name: Methyl 6-O-[(R)-1-Carboxyethyl]-α-D-galactopyranoside
• Formula: C10 H18 O8
• Calculated formula: C10 H18 O8
• SMILES: [C@@H]1(OC)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO[C@@H](C(=O)O)C
• Title of publication: Methyl 6-<i>O</i>-[(<i>R</i>)-1-Carboxyethyl]-α-<small>D</small>-galactopyranoside
• Authors of publication: Eriksson, L.; Pilotti, Å.; Stenutz, R.; Widmalm, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2285 - 2287
• a: 5.84 ± 0.003 Å
• b: 8.063 ± 0.006 Å
• c: 12.923 ± 0.007 Å
• α: 90°
• β: 101.74 ± 0.06°
• γ: 90°
• Cell volume: 595.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections: 0.16
• Weighted residual factors for significantly intense reflections: 0.1411
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No