Information card for entry 1543810

Structure parameters

• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: c1ccc2c(c(ccc2)C(=O)c2ccccc2)n1=O
• Title of publication: "One-Pot" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides.
• Authors of publication: Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2411 - 2414
• a: 17.8024 ± 0.0009 Å
• b: 7.7552 ± 0.0004 Å
• c: 17.7401 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No