Information card for entry 4110488

Structure parameters

• Formula: C31 H45 O P2 Rh
• Calculated formula: C31 H45 O P2 Rh
• SMILES: [Rh]12([P](CC)(CC)CC)([P](CC)(CC)CC)OC([C]31=[CH]2C=CC=C3)(c1ccccc1)c1ccccc1
• Title of publication: Direct Observation of β-Aryl Eliminations from Rh(I) Alkoxides
• Authors of publication: Pinjing Zhao; Christopher D. Incarvito; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 3124 - 3125
• a: 8.8744 ± 0.0018 Å
• b: 19.153 ± 0.004 Å
• c: 9.2647 ± 0.0019 Å
• α: 90°
• β: 108.67 ± 0.03°
• γ: 90°
• Cell volume: 1491.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No