Information card for entry 2233515

Structure parameters

• Chemical name: 9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b- hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one
• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: C12=CC[C@]([C@H]1[C@H]1[C@H](CC=C2C)C(=C)C(=O)O1)(C)O
• Title of publication: 9β-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one
• Authors of publication: Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o386
• a: 15.6732 ± 0.0009 Å
• b: 7.4208 ± 0.0004 Å
• c: 11.0544 ± 0.0006 Å
• α: 90°
• β: 103.169 ± 0.006°
• γ: 90°
• Cell volume: 1251.9 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes