Information card for entry 2240544

Structure parameters

• Chemical name: (2<i>E</i>)-1-(4-Hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• SMILES: c1(c2ccccc2n(c(=O)c1C(=O)/C=C/c1cc(OC)c(O)cc1)C)O
• Title of publication: Crystal structure of (2<i>E</i>)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Mangwala Kimpende, Peter; Nguyen, Ngoc Thanh; Nguyen, Minh Thao; Vu, Quoc Trung; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 424 - 426
• a: 8.3634 ± 0.0008 Å
• b: 22.664 ± 0.002 Å
• c: 8.8079 ± 0.0009 Å
• α: 90°
• β: 95.413 ± 0.003°
• γ: 90°
• Cell volume: 1662.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes