Information card for entry 2013231

Structure parameters

• Chemical name: Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate
• Formula: C13 H30 O13
• Calculated formula: C13 H30 O13
• SMILES: O([C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1O)CO)OC)[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C.O.O.O
• Title of publication: Methyl 3-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside trihydrate
• Authors of publication: Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o171 - o173
• a: 6.8638 ± 0.0016 Å
• b: 15.861 ± 0.004 Å
• c: 17.014 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.561
• Diffraction radiation wavelength: 0.872 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes