Information card for entry 2231990

Structure parameters

• Chemical name: 5-<i>O</i>-Acetyl-D-ribono-1,4-lactone
• Formula: C7 H10 O6
• Calculated formula: C7 H10 O6
• SMILES: C1(=O)[C@@H]([C@@H]([C@@H](COC(=O)C)O1)O)O
• Title of publication: 5-<i>O</i>-Acetyl-<small>D</small>-ribono-1,4-lactone
• Authors of publication: Bortoluzzi, Adailton J.; Sebrão, Damianni; Sá, Marcus M.; Nascimento, M. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2778
• a: 6.1409 ± 0.0004 Å
• b: 5.1952 ± 0.0015 Å
• c: 13.1844 ± 0.0018 Å
• α: 90°
• β: 95.118 ± 0.012°
• γ: 90°
• Cell volume: 418.95 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes