Information card for entry 2227450

Structure parameters

• Common name: Ranunculin
• Chemical name: (5<i>S</i>)-5-[(β-D-glucopyranosyloxy)methyl]furan-2(5<i>H</i>)-one
• Formula: C11 H16 O8
• Calculated formula: C11 H16 O8
• SMILES: O1C(=O)C=C[C@H]1CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
• Title of publication: Ranunculin
• Authors of publication: Benn, Michael; Yelland, Lois Jean; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2503
• a: 5.7944 ± 0.0004 Å
• b: 6.9359 ± 0.0003 Å
• c: 15.0491 ± 0.001 Å
• α: 90°
• β: 97.895 ± 0.002°
• γ: 90°
• Cell volume: 599.08 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes