Information card for entry 2016448

Structure parameters

• Chemical name: Methyl 2-<i>O</i>-β-L-fucopyranosyl α-D-glucopyranoside monohydrate
• Formula: C13 H26 O11
• Calculated formula: C13 H26 O11
• SMILES: [C@H]1([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O1)O[C@H]1[C@@H](OC)O[C@@H]([C@H]([C@@H]1O)O)CO.O
• Title of publication: Methyl 2-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside monohydrate: a synchrotron study
• Authors of publication: Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o31 - o32
• a: 7.166 ± 0.002 Å
• b: 6.3924 ± 0.0016 Å
• c: 18.518 ± 0.004 Å
• α: 90°
• β: 96.876 ± 0.012°
• γ: 90°
• Cell volume: 842.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.872 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes