Information card for entry 4105740

Structure parameters

• Common name: GWA303
• Chemical name: toste23
• Formula: C26 H26 N2 O4 S
• Calculated formula: C26 H26 N2 O4 S
• SMILES: [C@]1(C(=O)OC(=N1)c1ccccc1)(C)[C@@H](c1ccccc1)NS(=O)(=O)c1c(cc(cc1C)C)C
• Title of publication: Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones
• Authors of publication: Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3517 - 3527
• a: 6.4038 ± 0.0002 Å
• b: 19.3388 ± 0.0005 Å
• c: 22.3333 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2765.8 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0782
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No