Information card for entry 2226860

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Aminophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O=C(c1ccc(N)cc1)/C=C/c1c(OC)cc(OC)c(OC)c1
• Title of publication: (<i>E</i>)-1-(4-Aminophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1973 - o1974
• a: 13.6117 ± 0.0002 Å
• b: 10.354 ± 0.0002 Å
• c: 22.392 ± 0.0004 Å
• α: 90°
• β: 100.879 ± 0.001°
• γ: 90°
• Cell volume: 3099.11 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes