Information card for entry 7101314

Structure parameters

• Formula: C29 H36 Cl N2 O2 Rh S
• Calculated formula: C29 H36 Cl N2 O2 Rh S
• SMILES: [Rh]123456(Cl)N(S(=O)(=O)c7ccc(C)cc7)[C@@H]7CCCC[C@H]7[NH]1Cc1ccccc1[c]12[c]3([c]4([c]5([c]61C)C)C)C
• Title of publication: An outstanding catalyst for asymmetric transfer hydrogenation in aqueous solution and formic acid/triethylamine
• Authors of publication: M. Wills; Guy Clarkson; Daljit S. Matharu; David J. Morris
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 30
• a: 10.0963 ± 0.0012 Å
• b: 13.7861 ± 0.0016 Å
• c: 19.923 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2773.1 ± 0.6 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: 0.0309
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No