Information card for entry 8102538

Structure parameters

• Formula: C24 H26 O
• Calculated formula: C24 H26 O
• SMILES: O=C1C(=C\c2ccc(cc2C)C)\CCC/C1=C\c1ccc(cc1C)C
• Title of publication: Crystal structure of (2E,6E)-2,6-bis(2,4-dimethylbenzylidene)cyclohexanone, C24H26O
• Authors of publication: Guang-Ye Wang; Jing-Mei Lu; Shu-Yao Li; Jian Wei; Yu-Hong Gai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 611
• a: 7.1262 ± 0.0007 Å
• b: 19.3291 ± 0.0019 Å
• c: 14.3727 ± 0.0015 Å
• α: 90°
• β: 101.8 ± 0.002°
• γ: 90°
• Cell volume: 1937.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No