Information card for entry 4038809

Structure parameters

• Formula: C48 H81.54 Au Cl O2 P2
• Calculated formula: C48 H81.542 Au Cl O2 P2
• Title of publication: Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).
• Authors of publication: Rodstein, Ilja; Prendes, Daniel Sowa; Wickert, Leon; Paaßen, Maurice; Gessner, Viktoria
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.14401 ± 0.00004 Å
• b: 24.0935 ± 0.00007 Å
• c: 14.52671 ± 0.00004 Å
• α: 90°
• β: 95.1545 ± 0.0003°
• γ: 90°
• Cell volume: 4581.79 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0245
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No