Information card for entry 4023075

Structure parameters

• Formula: C31 H40 B F4 P2 Rh
• Calculated formula: C31 H40 B F4 P2 Rh
• SMILES: [Rh]1234([P@@]5([C@H]([C@H]6[P@@]1(Cc1ccccc61)C(C)(C)C)c1ccccc1C5)C(C)(C)C)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.[B](F)(F)(F)[F-]
• Title of publication: Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides
• Authors of publication: Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8870 - 8876
• a: 10.207 ± 0.002 Å
• b: 15.353 ± 0.003 Å
• c: 18.652 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2922.9 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0692
• 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