Information card for entry 4038811

Structure parameters

• Formula: C44 H68 P2
• Calculated formula: C44 H68 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: 9.3707 ± 0.0002 Å
• b: 9.9337 ± 0.0002 Å
• c: 10.031 ± 0.0002 Å
• α: 90.2806 ± 0.0017°
• β: 93.674 ± 0.002°
• γ: 93.3011 ± 0.0019°
• Cell volume: 930.24 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No