Information card for entry 4107455

Structure parameters

• Formula: C12 H21 Cl P Rh
• Calculated formula: C12 H21 Cl P Rh
• Title of publication: Rh(I)-Catalyzed Arylation of Heterocycles via C-H Bond Activation: Expanded Scope through Mechanistic Insight
• Authors of publication: Jared C. Lewis; Ashley M. Berman; Robert G. Bergman; Jonathan A. Ellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2493 - 2500
• a: 10.634 ± 0.002 Å
• b: 11.825 ± 0.002 Å
• c: 11.639 ± 0.002 Å
• α: 90°
• β: 108.58 ± 0.003°
• γ: 90°
• Cell volume: 1387.3 ± 0.4 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No