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Information card for entry 4037204
Preview
| Coordinates | 4037204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 N4 O5 |
|---|---|
| Calculated formula | C15 H20 N4 O5 |
| SMILES | c1ccccc1N1C(=O)C(C(=N1)C)(C(=N\OC)\C)N(C(=O)C)O.O |
| Title of publication | Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors. |
| Authors of publication | Nourian, Saghar; Zilber, Zachary A.; Toscano, John P. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 19 |
| Pages of publication | 9138 - 9146 |
| a | 12.2766 ± 0.0002 Å |
| b | 11.1657 ± 0.0003 Å |
| c | 12.4961 ± 0.0003 Å |
| α | 90° |
| β | 99.727 ± 0.002° |
| γ | 90° |
| Cell volume | 1688.3 ± 0.07 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235797 (current) | 2019-11-24 | cif/ Adding structures of 4037204 via cif-deposit CGI script. |
4037204.cif |
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Users of the data should acknowledge the original authors of the
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