Information card for entry 4032556

Structure parameters

• Formula: C40 H40 Cl10 F N2 O2 Rh S
• Calculated formula: C40 H40 Cl10 F N2 O2 Rh S
• SMILES: [Rh]123456([c]7(c8c(C[NH]6[C@@H]([C@@H](c6ccccc6)[N]5S(=O)(=O)c5ccc(cc5)C)c5ccccc5)cc(cc8)F)[c]1([c]2([c]3([c]47C)C)C)C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.
• Authors of publication: Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 5607 - 5615
• a: 14.2252 ± 0.0008 Å
• b: 17.5063 ± 0.0011 Å
• c: 19.1686 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4773.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No