Information card for entry 2212489

Structure parameters

• Common name: (1aR,2aS,5aS,5bS)-Perhydro-4H-oxireno[3,4]cyclopenta[1,2-b]furan-4-one
• Formula: C7 H8 O3
• Calculated formula: C7 H8 O3
• SMILES: O1[C@@H]2C[C@@H]3OC(=O)C[C@@H]3[C@H]12
• Title of publication: (1a<i>R</i>,2a<i>S</i>,5a<i>S</i>,5b<i>S</i>)-Perhydro-4<i>H</i>-oxireno[3,4]cyclopenta[1,2-<i>b</i>]furan-4-one
• Authors of publication: Christian Peifer; Melanie Tschertsche; Schollmeyer, Dieter; Stefan Laufer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1359 - o1360
• a: 4.8759 ± 0.0005 Å
• b: 9.511 ± 0.0008 Å
• c: 14.1724 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 657.24 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0561
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes