Information card for entry 2231594

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H18 O5
• Calculated formula: C18 H18 O5
• SMILES: Oc1ccccc1C(=O)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Suwunwong, Thitipone; Chanawanno, Kullapa; Wisitsak, Pitikan; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2287 - o2288
• a: 4.2891 ± 0.0002 Å
• b: 17.3341 ± 0.0009 Å
• c: 20.5732 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.57 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes