Information card for entry 4112559

Structure parameters

• Formula: C22 H44 B F4 P2 Rh
• Calculated formula: C22 H44 B F4 P2 Rh
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]1234[P](C[P@@]1(C(C)(C)C)C)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Highly Selective Asymmetric Hydrogenation Using a Three Hindered Quadrant Bisphosphine Rhodium Catalyst
• Authors of publication: Garrett Hoge; He-Ping Wu; William S. Kissel; Derek A. Pflum; Derek J. Greene; Jian Bao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5966 - 5967
• a: 8.4395 ± 0.0004 Å
• b: 16.8558 ± 0.0007 Å
• c: 18.3565 ± 0.0008 Å
• α: 90°
• β: 93.12 ± 0.001°
• γ: 90°
• Cell volume: 2607.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1181
• 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