Information card for entry 4127059

Structure parameters

• Common name: compound9
• Chemical name: compound9
• Formula: C78 H64 O2 P4 Rh
• Calculated formula: C78 H64 O2 P4 Rh
• Title of publication: Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.
• Authors of publication: Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 17.6304 ± 0.0006 Å
• b: 18.1797 ± 0.0006 Å
• c: 18.7127 ± 0.0006 Å
• α: 90°
• β: 96.862 ± 0.001°
• γ: 90°
• Cell volume: 5954.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0342
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No