Information card for entry 2241142

Structure parameters

• Chemical name: 3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol
• Formula: C16 H28 O2
• Calculated formula: C16 H28 O2
• SMILES: [C@H]12[C@](CC[C@@H]3[C@]1(C)CCCC3(C)C)(C)O[C@H](C2)O
• Title of publication: Crystal structure of 3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol
• Authors of publication: Shi, Xin-Wei; Li, Sheng-Kun; Li, Dang-Dang; Lu, Qiang-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o710 - o711
• a: 7.1675 ± 0.0008 Å
• b: 11.2654 ± 0.0013 Å
• c: 18.144 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1465 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes