Information card for entry 2225934

Structure parameters

• Chemical name: (2<i>E</i>,6<i>E</i>)-2,6-Bis(2,5-difluorobenzylidene)cyclohexanone
• Formula: C20 H14 F4 O
• Calculated formula: C20 H14 F4 O
• SMILES: Fc1cc(/C=C2/C(=O)C(=C\c3cc(F)ccc3F)\CCC2)c(F)cc1
• Title of publication: (2<i>E</i>,6<i>E</i>)-2,6-Bis(2,5-difluorobenzylidene)cyclohexanone
• Authors of publication: Jiang, Chengxi; Feng, Zhiguo; Song, Bo; Li, Xiaoxia; Li, Xiaokun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1009
• a: 15.824 ± 0.002 Å
• b: 6.3128 ± 0.0008 Å
• c: 17.097 ± 0.002 Å
• α: 90°
• β: 111.756 ± 0.003°
• γ: 90°
• Cell volume: 1586.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes