Information card for entry 2229375

Structure parameters

• Chemical name: 1-[(2<i>R</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy-4a,8- dimethylperhydronaphthalen-2-yl]ethan-1-one
• Formula: C14 H24 O2
• Calculated formula: C14 H24 O2
• SMILES: [C@H]12[C@](CCC[C@@]1(CC[C@H](C2)C(=O)C)C)(C)O
• Title of publication: 1-[(2<i>R</i>,4a<i>R</i>,8<i>R</i>,8a<i>R</i>)-8-Hydroxy-4a,8-dimethylperhydronaphthalen-2-yl]ethan-1-one
• Authors of publication: Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o601
• a: 6.4919 ± 0.0007 Å
• b: 9.4057 ± 0.0009 Å
• c: 10.3638 ± 0.0011 Å
• α: 90°
• β: 97.286 ± 0.01°
• γ: 90°
• Cell volume: 627.71 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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 all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes