Information card for entry 4115698

Structure parameters

• Formula: C20 H35 B F4 O P Rh
• Calculated formula: C20 H35 B F4 O P Rh
• SMILES: [Rh]12([P](Cc3c1c(C[O]2C)c(C)cc3C)(C(C)(C)C)C(C)(C)C)(C)[F][B](F)(F)F
• Title of publication: Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case
• Authors of publication: Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 9064 - 9077
• a: 13.628 ± 0.0003 Å
• b: 11.858 ± 0.0003 Å
• c: 15.066 ± 0.0004 Å
• α: 90°
• β: 114.705 ± 0.0015°
• γ: 90°
• Cell volume: 2211.84 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No