Information card for entry 2232047

Structure parameters

• Chemical name: (2<i>E</i>,4<i>E</i>)-<i>N</i>-Benzyl-2-cyano-5-phenylpenta-2,4-dienamide
• Formula: C19 H16 N2 O
• Calculated formula: C19 H16 N2 O
• SMILES: O=C(NCc1ccccc1)/C(=C/C=C/c1ccccc1)C#N
• Title of publication: (2<i>E</i>,4<i>E</i>)-<i>N</i>-Benzyl-2-cyano-5-phenylpenta-2,4-dienamide
• Authors of publication: Li, Xin-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2622
• a: 19.5823 ± 0.0019 Å
• b: 5.6386 ± 0.0008 Å
• c: 28.45 ± 0.003 Å
• α: 90°
• β: 94.912 ± 0.009°
• γ: 90°
• Cell volume: 3129.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0761
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes