Information card for entry 2229713

Structure parameters

• Chemical name: (<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Formula: C25 H19 N O
• Calculated formula: C25 H19 N O
• SMILES: O=C(c1c(c2ccccc2)c2ccccc2nc1C)/C=C/c1ccccc1
• Title of publication: (<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Prasath, R.; Sarveswari, S.; Vijayakumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o764 - o765
• a: 10.583 ± 0.0005 Å
• b: 10.2189 ± 0.0005 Å
• c: 18.4509 ± 0.0007 Å
• α: 90°
• β: 114.147 ± 0.002°
• γ: 90°
• Cell volume: 1820.8 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes