Information card for entry 4038442

Structure parameters

• Formula: C22 H21 Cl N2 O
• Calculated formula: C22 H21 Cl N2 O
• 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: 11.2878 ± 0.0003 Å
• b: 16.3406 ± 0.0004 Å
• c: 9.9479 ± 0.0003 Å
• α: 90°
• β: 90.224 ± 0.003°
• γ: 90°
• Cell volume: 1834.87 ± 0.09 ų
• Cell temperature: 292.8 ± 0.2 K
• Ambient diffraction temperature: 292.8 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No