Information card for entry 4038340

Structure parameters

• Formula: C13 H19 N O4
• Calculated formula: C13 H19 N O4
• Title of publication: Hypervalent Iodine Mediated Oxidative Cyclization of Acrylamide N-Carbamates to 5,5-Disubstituted Oxazolidine-2,4-diones
• Authors of publication: Duddupudi, Anantha Lakshmi; Pandey, Pankaj; Vo, Hien; Welsh, Colin L.; Doerksen, Robert J.; Cuny, Gregory D.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 6.8579 ± 0.0004 Å
• b: 24.7186 ± 0.0016 Å
• c: 7.8064 ± 0.0005 Å
• α: 90°
• β: 99.07 ± 0.003°
• γ: 90°
• Cell volume: 1306.78 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No