Information card for entry 2208881

Structure parameters

• Chemical name: 1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one
• Formula: C17 H12 Cl2 O
• Calculated formula: C17 H12 Cl2 O
• SMILES: O=C(/C=C/c1ccc(cc1)Cl)/C=C/c1ccc(cc1)Cl
• Title of publication: 1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one
• Authors of publication: Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Vijaya Raj, K. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1973 - o1975
• a: 24.509 ± 0.003 Å
• b: 4.9846 ± 0.0005 Å
• c: 5.8103 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 709.83 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2283
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes