Information card for entry 2239159

Structure parameters

• Chemical name: (1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one
• Formula: C16 H24 O
• Calculated formula: C16 H24 O
• SMILES: CC1=C[C@@H]2C(C)(C)CCC[C@@]3([C@@]2(CC1=O)C3)C
• Title of publication: (1<i>R</i>,3<i>S</i>,8<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one
• Authors of publication: Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o81 - o82
• a: 6.4379 ± 0.0002 Å
• b: 7.8889 ± 0.0003 Å
• c: 13.5122 ± 0.0005 Å
• α: 90°
• β: 97.43 ± 0.002°
• γ: 90°
• Cell volume: 680.49 ± 0.04 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: 0.0502
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes