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Information card for entry 4036831
Preview
Coordinates | 4036831.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R*)-2-fluoro-N-methyl-2-((S*)-3-methyl-2-oxo-5,5- diphenyloxazolidin-4-yl)acetamide |
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Formula | C19 H19 F N2 O3 |
Calculated formula | C19 H19 F N2 O3 |
SMILES | O1C(=O)N(C)[C@@H]([C@H](F)C(=O)NC)C1(c1ccccc1)c1ccccc1.O1C(=O)N(C)[C@H]([C@@H](F)C(=O)NC)C1(c1ccccc1)c1ccccc1 |
Title of publication | Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones. |
Authors of publication | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 12 |
Pages of publication | 5101 - 5119 |
a | 12.085 ± 0.002 Å |
b | 9.5194 ± 0.0019 Å |
c | 15.284 ± 0.003 Å |
α | 90° |
β | 97.812 ± 0.007° |
γ | 90° |
Cell volume | 1742 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0595 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.1113 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036831.html
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Users of the data should acknowledge the original authors of the
structural data.