Information card for entry 2230872

Structure parameters

• Chemical name: 5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b- decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one
• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: C=C1[C@@H]2C[C@H](C(=C)[C@H]3[C@@H]([C@H]2OC1=O)[C@@](C)(CC3)O)O
• Title of publication: 5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one
• Authors of publication: Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1760 - o1761
• a: 6.421 ± 0.0014 Å
• b: 13.504 ± 0.003 Å
• c: 15.619 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1354.3 ± 0.5 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: 0.041
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes