Information card for entry 2213444

Structure parameters

• Chemical name: (E)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one
• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: O(c1nc2c(cc1/C=C/C(=O)c1cc(ccc1O)C)cccc2)CC
• Title of publication: (<i>E</i>)-3-(2-Ethoxyquinolin-3-yl)-1-(2-hydroxy-6-methylphenyl)prop-2-en-1-one
• Authors of publication: Abdelmalek Bouraiou; Ali Belfaitah; Sofiane Bouacida; Patricia Benard-Rocherulle; Bertrand Carboni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2133 - o2135
• a: 7.6026 ± 0.0002 Å
• b: 14.7425 ± 0.0004 Å
• c: 15.6862 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1758.13 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes