Information card for entry 7154892

Structure parameters

• Formula: C24 H30 N2 O6 S2
• Calculated formula: C24 H30 N2 O6 S2
• SMILES: S1(=O)(=O)N[C@@H]([C@H]([NH3+])c2ccccc2)c2c1cccc2.S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C
• Title of publication: γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.
• Authors of publication: Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2112 - 2120
• a: 13.1356 ± 0.0002 Å
• b: 7.0352 ± 0.0001 Å
• c: 14.6189 ± 0.0002 Å
• α: 90°
• β: 112.865 ± 0.0008°
• γ: 90°
• Cell volume: 1244.81 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No