Information card for entry 2231564

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O=C(c1ccccc1N)/C=C/c1cc(OC)c(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(2-Aminophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Ruanwas, Pumsak; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2485 - o2486
• a: 14.8537 ± 0.0003 Å
• b: 20.5009 ± 0.0004 Å
• c: 19.5952 ± 0.0003 Å
• α: 90°
• β: 127.043 ± 0.001°
• γ: 90°
• Cell volume: 4762.78 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes