Information card for entry 7130440

Structure parameters

• Formula: C31 H37 N O2
• Calculated formula: C31 H37 N O2
• Title of publication: Palladium(ii)-catalyzed enantioselective intermolecular oxidative diarylation of internal enamides
• Authors of publication: Xia, Tingting; Xi, Yang; Ding, Haojie; Zhang, Yetong; Fang, Ke; Wu, Xianqing; Qu, Jingping; Chen, Yifeng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.4789 ± 0.0005 Å
• b: 18.2766 ± 0.0013 Å
• c: 22.8772 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2708.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1504
• 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: Yes
• Has Fobs: No