Information card for entry 4102031

Structure parameters

• Common name: RajanBabu 1754
• Formula: C29 H30 Cl2 Co P2
• Calculated formula: C29 H30 Cl2 Co P2
• SMILES: [Co]1(Cl)(Cl)[P]([C@H](C[C@@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes
• Authors of publication: Rakesh K. Sharma; T. V. RajanBabu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3295 - 3297
• a: 8.6413 ± 0.0001 Å
• b: 17.5979 ± 0.0002 Å
• c: 18.4606 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2807.28 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No