Information card for entry 2216092

Structure parameters

• Chemical name: (1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one
• Formula: C17 H12 Cl2 O
• Calculated formula: C17 H12 Cl2 O
• SMILES: O=C(/C=C/c1ccccc1Cl)/C=C/c1ccccc1Cl
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one
• Authors of publication: M. NizamMohideen; S. Thenmozhi; A. SubbiahPandi; Ramalingam Murugan; S. Sriman Narayanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4379 - o4379
• a: 14.2816 ± 0.0004 Å
• b: 8.3056 ± 0.0002 Å
• c: 25.0612 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972.69 ± 0.14 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: 0.1037
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes