Information card for entry 7120962

Structure parameters

• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: s1c([C@H](O)[C@@H](NC(=O)c2ccccc2)C(=O)OC)ccc1
• Title of publication: Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.
• Authors of publication: Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 283 - 286
• a: 7.9135 ± 0.0002 Å
• b: 9.874 ± 0.0002 Å
• c: 19.0229 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.41 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No