Information card for entry 2221744

Structure parameters

• Common name: Methyl 3,4-<i>O</i>-isopropylidene-β-D‒ fucopyranoside monohydrate
• Formula: C10 H20 O6
• Calculated formula: C10 H20 O6
• SMILES: O1[C@@H](OC)[C@H](O)[C@H]2OC(O[C@H]2[C@H]1C)(C)C.O
• Title of publication: Redetermination of methyl 3,4-<i>O</i>-isopropylidene-β-<small>D</small>-fucopyranoside monohydrate
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1002 - o1003
• a: 8.5824 ± 0.0001 Å
• b: 9.2834 ± 0.0001 Å
• c: 14.6711 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1168.9 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0275
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes