Information card for entry 2219761

Structure parameters

• Chemical name: (2<i>E</i>,6<i>E</i>)-2,6-Bis(4-ethoxybenzylidene)cyclohexanone
• Formula: C24 H26 O3
• Calculated formula: C24 H26 O3
• SMILES: CCOc1ccc(cc1)/C=C1\CCC/C(=C\c2ccc(cc2)OCC)C1=O
• Title of publication: (2<i>E</i>,6<i>E</i>)-2,6-Bis(4-ethoxybenzylidene)cyclohexanone
• Authors of publication: Shi, Xiaopeng; Li, Shuqin; Liu, Zhenzhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2199
• a: 24.2516 ± 0.0006 Å
• b: 10.8459 ± 0.0003 Å
• c: 7.527 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1979.83 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes