Information card for entry 2004121

Structure parameters

• Formula: C26 H38 O
• Calculated formula: C26 H38 O
• SMILES: O=C1C=C(/C=C/[C@@H]2C(=CCCC2(C)C)C)C[C@H](C1)[C@H]1C(=CCCC1(C)C)C.O=C1C=C(/C=C/[C@H]2C(=CCCC2(C)C)C)C[C@@H](C1)[C@@H]1C(=CCCC1(C)C)C
• Title of publication: 5-(2,6,6-Triméthyl-2-cyclohexen-1-yl)-3-[2-(2,6,6-triméthyl-2-cyclohexen-1-yl)éthenyl]-2-cyclohexen-1-one
• Authors of publication: Ginderow, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2455 - 2458
• a: 13.877 ± 0.006 Å
• b: 10.446 ± 0.004 Å
• c: 8.109 ± 0.003 Å
• α: 79.72 ± 0.03°
• β: 97.26 ± 0.04°
• γ: 93.14 ± 0.04°
• Cell volume: 1146.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections: 0.1999
• Weighted residual factors for significantly intense reflections: 0.1926
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No