Information card for entry 4135479

Structure parameters

• Formula: C22 H45 F12 N2 O8.25 P3 Ru S4
• Calculated formula: C22 H45 F12 N2 O8.25 P3 Ru S4
• Title of publication: Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction.
• Authors of publication: Ma, Senjie; Hill, Christopher K.; Olen, Casey L.; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.433 ± 0.003 Å
• b: 18.944 ± 0.005 Å
• c: 18.126 ± 0.005 Å
• α: 90°
• β: 91.423 ± 0.005°
• γ: 90°
• Cell volume: 3924.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No