Information card for entry 2208670

Structure parameters

• Chemical name: 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: COc1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)OC
• Title of publication: A redetermination of 1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one at 120(2)K
• Authors of publication: Harrison, William T. A.; Sarojini, B. K.; Vijaya Raj, K. K.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1522 - o1523
• a: 7.2756 ± 0.0009 Å
• b: 33.583 ± 0.0006 Å
• c: 6.132 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes