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Information card for entry 4038339
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Coordinates | 4038339.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H19 N O7 |
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Calculated formula | C16 H19 N O7 |
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 | 13.342 ± 0.002 Å |
b | 9.109 ± 0.002 Å |
c | 15.058 ± 0.003 Å |
α | 90° |
β | 116.028 ± 0.002° |
γ | 90° |
Cell volume | 1644.4 ± 0.5 Å3 |
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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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251956 (current) | 2020-05-12 | cif/ Adding structures of 4038339 via cif-deposit CGI script. |
4038339.cif |
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