Information card for entry 4135480

Structure parameters

• Formula: C26 H52 F6 N3 O4 P3 Ru S2
• Calculated formula: C26 H52 F6 N3 O4 P3 Ru S2
• 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: 12.6581 ± 0.0004 Å
• b: 14.3288 ± 0.0004 Å
• c: 20.7537 ± 0.0006 Å
• α: 90°
• β: 106.345 ± 0.003°
• γ: 90°
• Cell volume: 3612.08 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No