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Information card for entry 4037202
Preview
| Coordinates | 4037202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 N4 O4 |
|---|---|
| Calculated formula | C10 H16 N4 O4 |
| SMILES | CO/N=C(C)/C1(C(=NN(C1=O)C)C)N(C(=O)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 | 9.49728 ± 0.00011 Å |
| b | 21.3932 ± 0.0002 Å |
| c | 6.35861 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1291.92 ± 0.03 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0289 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235794 (current) | 2019-11-24 | cif/ Adding structures of 4037202 via cif-deposit CGI script. |
4037202.cif |
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Users of the data should acknowledge the original authors of the
structural data.