Information card for entry 1549620

Structure parameters

• Formula: C18 H19 N O5 S
• Calculated formula: C18 H19 N O5 S
• SMILES: N1(C(=O)OC[C@H]1c1ccc(cc1)S(=O)(=O)C)Cc1ccc(cc1)OC
• Title of publication: Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.
• Authors of publication: Li, Wei; Wollenburg, Marco; Glorius, Frank
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 29
• Pages of publication: 6260 - 6263
• a: 19.1685 ± 0.0005 Å
• b: 5.7871 ± 0.0003 Å
• c: 14.8903 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.78 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No