Information card for entry 4109097

Structure parameters

• Formula: C78 H76 Cl6 O2 P3 Rh3
• Calculated formula: C78 H76 Cl6 O2 P3 Rh3
• SMILES: [Rh]123([O]4[Rh]56([OH]1[Rh]417[P]([C@H]4[C@H]8[CH]1=[C]7([C@@H]4CC8)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([C@H]1[C@H]4[CH]5=[C]6([C@@H]1CC4)c1ccccc1)(c1ccccc1)c1ccccc1)[P]([C@H]1[C@H]4[CH]2=[C]3([C@@H]1CC4)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Chiral Phosphine-Olefin Ligands in the Rhodium-Catalyzed Asymmetric 1,4-Addition Reactions
• Authors of publication: Wei-Liang Duan; Hiroshi Iwamura; Ryo Shintani; Tamio Hayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2130 - 2138
• a: 15.182 ± 0.001 Å
• b: 19.779 ± 0.002 Å
• c: 23.308 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6999 ± 1 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No