Information card for entry 7129707

Structure parameters

• Formula: C17 H21 N
• Calculated formula: C17 H21 N
• Title of publication: Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers
• Authors of publication: Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.0632 ± 0.0001 Å
• b: 31.1441 ± 0.0006 Å
• c: 11.832 ± 0.0002 Å
• α: 90°
• β: 103.573 ± 0.001°
• γ: 90°
• Cell volume: 2171.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No