Information card for entry 4038338

Structure parameters

• Formula: C20 H19 N O6
• Calculated formula: C20 H19 N O6
• 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: 12.061 ± 0.002 Å
• b: 28.652 ± 0.005 Å
• c: 16.333 ± 0.003 Å
• α: 90°
• β: 102.425 ± 0.002°
• γ: 90°
• Cell volume: 5512 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No