Information card for entry 7159968

Structure parameters

• Chemical name: 8b
• Formula: C20 H18 Cl N O2
• Calculated formula: C20 H18 Cl N O2
• Title of publication: Quinoline-Derived NNP-Manganese Complex Catalyzed α‑Alkylation of Ketones with Primary Alcohols
• Authors of publication: Song, Peidong; Rong, Hao-Jie; Meng, Ting Ting; Cui, Ze; Mao, Ming-Zhen; Yang, Cui-Feng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 8.2846 ± 0.0005 Å
• b: 11.5452 ± 0.0007 Å
• c: 17.4901 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1672.88 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No