Information card for entry 4132905

Structure parameters

• Formula: C19 H21 N3 O3
• Calculated formula: C19 H21 N3 O3
• Title of publication: Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.
• Authors of publication: Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 36
• Pages of publication: 11487 - 11494
• a: 12.4909 ± 0.0008 Å
• b: 26.885 ± 0.002 Å
• c: 15.9657 ± 0.0013 Å
• α: 90°
• β: 92.28 ± 0.002°
• γ: 90°
• Cell volume: 5357.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1387
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.3078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No