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Information card for entry 1552853
Preview
| Coordinates | 1552853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 N2 O3 S |
|---|---|
| Calculated formula | C10 H10 N2 O3 S |
| SMILES | s1cccc1C(=O)N1C(=O)NC(C1=O)(C)C |
| Title of publication | N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones |
| Authors of publication | Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2018 |
| Journal volume | 22 |
| Journal issue | 9 |
| Pages of publication | 1188 |
| a | 5.9578 ± 0.0003 Å |
| b | 9.7092 ± 0.0005 Å |
| c | 10.302 ± 0.0006 Å |
| α | 106.092 ± 0.002° |
| β | 104.979 ± 0.002° |
| γ | 94.998 ± 0.001° |
| Cell volume | 544.97 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227491 (current) | 2019-11-12 | cif/ Adding structures of 1552853 via cif-deposit CGI script. |
1552853.cif |
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Users of the data should acknowledge the original authors of the
structural data.