Information card for entry 4038439

Structure parameters

• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 N2 O2
• Title of publication: Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
• Authors of publication: Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.8871 ± 0.0009 Å
• b: 12.8362 ± 0.001 Å
• c: 14.9048 ± 0.0014 Å
• α: 90°
• β: 94.848 ± 0.009°
• γ: 90°
• Cell volume: 1694.2 ± 0.3 ų
• Cell temperature: 292.9 ± 0.1 K
• Ambient diffraction temperature: 292.9 ± 0.1 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: 0.0991
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No