Information card for entry 7129706

Structure parameters

• Formula: C22 H24 Br N O
• Calculated formula: C22 H24 Br N O
• SMILES: Brc1ccc(C(=O)NC2([C@H](C=C)c3ccccc3)CCCCC2)cc1
• 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: 12.716 ± 0.002 Å
• b: 12.716 ± 0.002 Å
• c: 22.693 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3177.8 ± 0.9 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No