Information card for entry 2228859

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,6-trimethoxyphenyl)penta-1,4-dien-3-one
• Formula: C23 H26 O7
• Calculated formula: C23 H26 O7
• SMILES: COc1cc(OC)cc(c1/C=C/C(=O)/C=C/c1c(OC)cc(cc1OC)OC)OC
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,4,6-trimethoxyphenyl)penta-1,4-dien-3-one
• Authors of publication: Ruanwas, Pumsak; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o33 - o34
• a: 15.7417 ± 0.0002 Å
• b: 15.1192 ± 0.0002 Å
• c: 19.4803 ± 0.0003 Å
• α: 90°
• β: 117.827 ± 0.001°
• γ: 90°
• Cell volume: 4100.21 ± 0.11 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: 0.0795
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes