Information card for entry 2238392

Structure parameters

• Chemical name: (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol
• Formula: C16 H26 O
• Calculated formula: C16 H26 O
• SMILES: O[C@@H]1C[C@]23C[C@]3(C)CCCC([C@H]2C=C1C)(C)C
• Title of publication: Absolute configuration of (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol
• Authors of publication: Abdoullah, Bimoussa; Aziz, Auhmani; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1308 - o1309
• a: 6.1457 ± 0.0001 Å
• b: 8.2466 ± 0.0002 Å
• c: 27.4454 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.96 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes