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Information card for entry 1550571
Preview
| Coordinates | 1550571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H21 N3 O4 |
|---|---|
| Calculated formula | C16 H21 N3 O4 |
| SMILES | O=C1N(C(=O)C(N1NC(=O)OC(C)(C)C)(c1ccccc1)C)C |
| Title of publication | Connective Synthesis of 5,5-Disubstituted Hydantoins by Tandem α-Amination and α-Arylation of Silyl Ketene Acetals |
| Authors of publication | Saunthwal, Rakesh; Cornall, Matthew; Abrams, Roman; Ward, John; Clayden, Jonathan |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 21.1353 ± 0.0004 Å |
| b | 9.1587 ± 0.0002 Å |
| c | 16.9027 ± 0.0003 Å |
| α | 90° |
| β | 92.271 ± 0.001° |
| γ | 90° |
| Cell volume | 3269.32 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213520 (current) | 2019-02-07 | cif/ Adding structures of 1550570, 1550571 via cif-deposit CGI script. |
1550571.cif |
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