Information card for entry 4127058

Structure parameters

• Common name: compound8
• Chemical name: compound8
• Formula: C54 H59 Cl2 O2 P2 Rh Si
• Calculated formula: C54 H59 Cl2 O2 P2 Rh Si
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2cccc3C(c4cccc5c4[O](c23)[Rh]1([Si](CC)(CC)OC12CC3CC(CC(C1)C3)C2)([P]5(c1ccccc1)c1ccccc1)Cl)(C)C.C(CCl)Cl
• 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: 11.5444 ± 0.0005 Å
• b: 16.0589 ± 0.0007 Å
• c: 26.8374 ± 0.0014 Å
• α: 95.114 ± 0.003°
• β: 92.97 ± 0.003°
• γ: 90.036 ± 0.003°
• Cell volume: 4948.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2772
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No