Information card for entry 2218870

Structure parameters

• Chemical name: 2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone
• Formula: C20 H14 Cl4 O
• Calculated formula: C20 H14 Cl4 O
• SMILES: Clc1cc(Cl)c(cc1)/C=C1\CCCC(=C\c2ccc(Cl)cc2Cl)/C1=O
• Title of publication: 2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone
• Authors of publication: Guo, Huan-Mei; Liu, Li; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1626
• a: 14.469 ± 0.002 Å
• b: 8.0602 ± 0.0012 Å
• c: 31.554 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3679.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes