Information card for entry 4108831

Structure parameters

• Common name: (1R,2R)-[3-Oxo-2-(2-oxo-oxazolidine-3-carbonyl) -1-phenyl-butyl]-carbamic acid benzyl ester
• Formula: C22 H22 N2 O6
• Calculated formula: C22 H22 N2 O6
• SMILES: [C@H](c1ccccc1)([C@H](C(=O)C)C(=O)N1C(=O)OCC1)NC(=O)OCc1ccccc1
• Title of publication: Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction
• Authors of publication: Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16858 - 16860
• a: 9.9855 ± 0.0017 Å
• b: 8.2071 ± 0.0014 Å
• c: 24.322 ± 0.004 Å
• α: 90°
• β: 90.099 ± 0.003°
• γ: 90°
• Cell volume: 1993.2 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No