Information card for entry 1506779

Structure parameters

• Formula: C40 H41 Cl10 N2 O2 Rh S
• Calculated formula: C40 H41 Cl10 N2 O2 Rh S
• SMILES: [Rh]123456(Cl)N(S(=O)(=O)c7ccc(C)cc7)[C@@H]([C@H]([NH]1Cc1ccccc1[c]12[c]3([c]4([c]5([c]61C)C)C)C)c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: A stereochemically well-defined rhodium(III) catalyst for asymmetric transfer hydrogenation of ketones.
• Authors of publication: Matharu, Daljit S.; Morris, David J.; Kawamoto, Aparecida M.; Clarkson, Guy J.; Wills, Martin
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5489 - 5491
• a: 14.219 ± 0.009 Å
• b: 17.256 ± 0.01 Å
• c: 19.305 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4737 ± 5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No