Information card for entry 2229228

Structure parameters

• Chemical name: 1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin- 4-yl]pyrrolidin-2-one
• Formula: C28 H24 N4 O4
• Calculated formula: C28 H24 N4 O4
• SMILES: O=N(=O)c1ccc(cc1)[C@@H]1Nc2c([C@@H](N3CCCC3=O)C1)c(ccc2)c1noc(c1)c1ccccc1
• Title of publication: 1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
• Authors of publication: Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o308 - o309
• a: 20.753 ± 0.003 Å
• b: 20.753 ± 0.003 Å
• c: 10.446 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3896.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes