Information card for entry 2218895

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis(4-methylphenyl)penta-1,4-dien-3-one
• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: O=C(/C=C/c1ccc(cc1)C)/C=C/c1ccc(cc1)C
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis(4-methylphenyl)penta-1,4-dien-3-one
• Authors of publication: Arshad, Muhammad Nadeem; Tahir, Muhammad Nawaz; Asghar, Muhammad Nadeem; Khan, Islam Ullah; Ashfaq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1413
• a: 19.937 ± 0.002 Å
• b: 5.8637 ± 0.0005 Å
• c: 14.9207 ± 0.0014 Å
• α: 90°
• β: 121.001 ± 0.003°
• γ: 90°
• Cell volume: 1495.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes