Information card for entry 2227546

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Methylphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
• Formula: C26 H23 N O2
• Calculated formula: C26 H23 N O2
• SMILES: O=C(c1c(c2c(nc1C)cccc2)c1ccccc1)/C=C/c1ccc(cc1)C.O
• Title of publication: (2<i>E</i>)-3-(4-Methylphenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one monohydrate
• Authors of publication: Prasath, R.; Sarveswari, S.; Vijayakumar, V.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2710 - o2711
• a: 8.2634 ± 0.0007 Å
• b: 9.0785 ± 0.0007 Å
• c: 14.1176 ± 0.0012 Å
• α: 91.137 ± 0.001°
• β: 101.537 ± 0.001°
• γ: 100.82 ± 0.001°
• Cell volume: 1017.43 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes