Information card for entry 4038725

Structure parameters

• Formula: C52.75 H39.5 Cl3.5 F2 N2 Pd
• Calculated formula: C52.75 H39.5 Cl3.5 F2 N2 Pd
• Title of publication: "Bulky-Yet-Flexible" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air.
• Authors of publication: Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 18.9995 ± 0.0004 Å
• b: 26.206 ± 0.0008 Å
• c: 35.374 ± 0.0009 Å
• α: 90°
• β: 96.956 ± 0.002°
• γ: 90°
• Cell volume: 17483.1 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No