Information card for entry 2238322

Structure parameters

• Chemical name: (1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol
• Formula: C16 H28 O
• Calculated formula: C16 H28 O
• SMILES: O[C@@H]1C[C@]23C[C@]3(C)CCCC([C@H]2C[C@H]1C)(C)C
• Title of publication: (1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol
• Authors of publication: Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1350
• a: 5.8796 ± 0.0002 Å
• b: 12.7822 ± 0.0004 Å
• c: 19.1496 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1439.17 ± 0.08 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: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes