Information card for entry 4032511

Structure parameters

• Formula: C38 H40 Cl N2 O2 Rh S
• Calculated formula: C38 H40 Cl N2 O2 Rh S
• SMILES: [Rh]123456(Cl)[NH]([C@@H]([C@H](N1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)Cc1cc(ccc1[c]12[c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 28.8531 ± 0.0006 Å
• b: 28.8531 ± 0.0006 Å
• c: 10.2856 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8562.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No