Information card for entry 4122405

Structure parameters

• Common name: CC4-244
• Chemical name: hartwig54
• Formula: C57 H79 O16 P2 Rh Si3
• Calculated formula: C57 H79 O16 P2 Rh Si3
• Title of publication: Mechanism of the Rhodium-Catalyzed Silylation of Arene C-H Bonds.
• Authors of publication: Cheng, Chen; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12064
• a: 12.807 ± 0.003 Å
• b: 19.191 ± 0.004 Å
• c: 13.761 ± 0.003 Å
• α: 90°
• β: 91.137 ± 0.009°
• γ: 90°
• Cell volume: 3381.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No