Information card for entry 2207252

Structure parameters

• Chemical name: 1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one
• Formula: C18 H19 N O
• Calculated formula: C18 H19 N O
• SMILES: O=C(c1ccccc1)C=C(N[C@H](c1ccccc1)C)C
• Title of publication: 1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one
• Authors of publication: Yao-Cheng Shi; Chun-Xia Sui; Hua-Mei Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3574 - o3575
• a: 10.257 ± 0.002 Å
• b: 11.856 ± 0.002 Å
• c: 12.892 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1567.8 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• 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: 0.1432
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes