Information card for entry 4022376

Structure parameters

• Formula: C24 H24 O
• Calculated formula: C24 H24 O
• SMILES: O=C1C([C@H]2C(=C)CC(=C([C@@]12c1ccccc1)c1ccccc1)C)(C)C
• Title of publication: Photochemistry of Bicyclo[2.2.2]oct-7-ene-2,5-diones and the Corresponding 5-Hydroxyimino and 5-Methylene Derivatives
• Authors of publication: Ming-Shyong Yang; Shyue-Sheng Lu; Chitneni Prasad Rao; Yow-Fu Tsai; Chun-Chen Liao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 6543 - 6553
• a: 9.2085 ± 0.0017 Å
• b: 13.517 ± 0.003 Å
• c: 15.355 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No