Information card for entry 2224582

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Methoxyanilino)-1-phenylbut-2-en-1-one
• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O(c1ccc(N/C(C)=C\C(=O)c2ccccc2)cc1)C
• Title of publication: (<i>Z</i>)-3-(4-Methoxyanilino)-1-phenylbut-2-en-1-one
• Authors of publication: Zhang, Li-Ping; Yang, Ming; Fang, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o7
• a: 6.435 ± 0.002 Å
• b: 7.287 ± 0.003 Å
• c: 30.919 ± 0.012 Å
• α: 90°
• β: 94.954 ± 0.006°
• γ: 90°
• Cell volume: 1444.4 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes