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Information card for entry 4037205
Preview
| Coordinates | 4037205.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 N4 O3 |
|---|---|
| Calculated formula | C14 H18 N4 O3 |
| SMILES | c1ccccc1N1C(=O)C(C(=N1)C)(C)N(C(=O)N(C)C)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 | 10.805 ± 0.0003 Å |
| b | 11.4659 ± 0.0003 Å |
| c | 13.3709 ± 0.0004 Å |
| α | 111.885 ± 0.003° |
| β | 90.695 ± 0.002° |
| γ | 93.75 ± 0.002° |
| Cell volume | 1532.65 ± 0.08 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235798 (current) | 2019-11-24 | cif/ Adding structures of 4037205 via cif-deposit CGI script. |
4037205.cif |
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Users of the data should acknowledge the original authors of the
structural data.