Information card for entry 2224972

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
• Formula: C23 H26 O7
• Calculated formula: C23 H26 O7
• SMILES: COc1cc(OC)c(cc1/C=C/C(=O)/C=C/c1cc(OC)c(cc1OC)OC)OC
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
• Authors of publication: Fun, Hoong-Kun; Ruanwas, Pumsak; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o307 - o308
• a: 9.4157 ± 0.0001 Å
• b: 36.8613 ± 0.0005 Å
• c: 19.1226 ± 0.0003 Å
• α: 90°
• β: 107.737 ± 0.001°
• γ: 90°
• Cell volume: 6321.49 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes