Information card for entry 1543812

Structure parameters

• Formula: C28 H23 Cl3 N O P Pd
• Calculated formula: C28 H23 Cl3 N O P Pd
• SMILES: [Pd]1(c2c3c(cccn3=[O]1)ccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.ClCCl
• 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: 10.2608 ± 0.0005 Å
• b: 16.6441 ± 0.0009 Å
• c: 15.6634 ± 0.0008 Å
• α: 90°
• β: 92.089 ± 0.004°
• γ: 90°
• Cell volume: 2673.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.067
• 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: No