Information card for entry 4038440

Structure parameters

• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• 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: 29.662 ± 0.002 Å
• b: 10.9561 ± 0.0008 Å
• c: 10.6849 ± 0.0008 Å
• α: 90°
• β: 96.772 ± 0.008°
• γ: 90°
• Cell volume: 3448.2 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No