Information card for entry 2224808

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
• Formula: C18 H19 N O
• Calculated formula: C18 H19 N O
• SMILES: O=C(c1ccc(cc1)C)/C=C/c1ccc(N(C)C)cc1
• Title of publication: (<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Wang, Lei; Ma, Li-Ying; Huang, Yu-Ling; Zheng, Bai-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o174
• a: 7.276 ± 0.002 Å
• b: 11.567 ± 0.003 Å
• c: 17.642 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1484.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.067
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes