Information card for entry 4517849

Structure parameters

• Formula: C19 H24 N4 O2 Pd
• Calculated formula: C19 H24 N4 O2 Pd
• Title of publication: Remote γ-C(sp3)‒H Alkylation of Aliphatic Carboxamides via an Unexpected Regiodetermining Pd Migration Process: Reaction Development and Mechanistic Study
• Authors of publication: Li, Ya; Zhang, Pan; Liu, Yue-Jin; Yu, Zhi-Xiang; Shi, Bing-Feng
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 8212 - 8222
• a: 14.1106 ± 0.001 Å
• b: 6.7889 ± 0.0005 Å
• c: 20.7976 ± 0.0017 Å
• α: 90°
• β: 92.295 ± 0.007°
• γ: 90°
• Cell volume: 1990.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No