Information card for entry 4103364

Structure parameters

• Formula: C45 H56 Cl N2 O3 P2 Rh
• Calculated formula: C45 H56 Cl N2 O3 P2 Rh
• SMILES: [Rh](Cl)([P@]1([C@@H](OC(C)C)N2[C@@H](CCc3cccc1c23)C(C)C)c1ccccc1)([P@]1([C@@H](OC(C)C)N2[C@@H](CCc3cccc1c23)C(C)C)c1ccccc1)C#[O]
• Title of publication: Application of a Chiral Scaffolding Ligand in Catalytic Enantioselective Hydroformylation
• Authors of publication: Amanda D. Worthy; Candice L. Joe; Thomas E. Lightburn; Kian L. Tan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 14757 - 14759
• a: 9.199 ± 0.002 Å
• b: 14.76 ± 0.003 Å
• c: 31.273 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4246.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No