Information card for entry 4517581

Structure parameters

• Formula: C23 H20 N2
• Calculated formula: C23 H20 N2
• Title of publication: Catalytic Conversion of N-Heteroaromatics to Functionalized Arylamines by Merging Hydrogen Transfer and Selective Coupling
• Authors of publication: Tan, Zhenda; Ci, Chenggang; Yang, Jian; Wu, Yang; Cao, Liang; Jiang, Huanfeng; Zhang, Min
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 5243
• a: 7.4417 ± 0.0015 Å
• b: 9.5742 ± 0.0019 Å
• c: 13.391 ± 0.003 Å
• α: 74.82 ± 0.03°
• β: 87.16 ± 0.03°
• γ: 74.55 ± 0.03°
• Cell volume: 887.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No