Information card for entry 2242960

Structure parameters

• Chemical name: Methyl α-<i>L</i>-rhamnopyranosyl-(1\ρightarrow2)-α-<i>L</i>-rhamnopyranoside monohydrate
• Formula: C13 H26 O10
• Calculated formula: C13 H26 O10
• SMILES: [C@@H]1([C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O[C@H]1[C@H](OC)O[C@H]([C@@H]([C@H]1O)O)C.O
• Title of publication: Crystal structure of methyl α-<small>L</small>-rhamnopyranosyl-(1\ρightarrow 2)-α-<small>L</small>-rhamnopyranoside monohydrate
• Authors of publication: Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 854 - 857
• a: 13.936 ± 0.003 Å
• b: 15.501 ± 0.003 Å
• c: 15.988 ± 0.003 Å
• α: 90°
• β: 105.92 ± 0.16°
• γ: 90°
• Cell volume: 3321 ± 3 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: 0.2689
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes