Information card for entry 7129451

Structure parameters

• Chemical name: zqlu3i-7
• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• Title of publication: Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones
• Authors of publication: Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.2919 ± 0.0003 Å
• b: 8.7725 ± 0.0004 Å
• c: 13.1099 ± 0.0005 Å
• α: 101.494 ± 0.003°
• β: 94.001 ± 0.003°
• γ: 110.869 ± 0.004°
• Cell volume: 862.81 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No