Information card for entry 8101488

Structure parameters

• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: O1C(=O)C[C@H]2O[C@H]([C@H]([C@@H]12)O)CO
• Title of publication: Crystal structure of (3aR,5S,6R,6aR)-6-hydroxy-5-hydroxymethyl-perhydrofuro [3,2-b]furan-2-one, C7H10O5
• Authors of publication: Frey, Wolfgang; Gracza, Tibor; Hasenöhrl, Thomas; Lieberknecht, Albrecht; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 259 - 260
• a: 5.197 ± 0.001 Å
• b: 14.526 ± 0.003 Å
• c: 5.659 ± 0.001 Å
• α: 90°
• β: 117.08 ± 0.01°
• γ: 90°
• Cell volume: 380.37 ± 0.13 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0784
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No