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Information card for entry 4037203
Preview
Coordinates | 4037203.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H16 N4 O5 |
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Calculated formula | C10 H16 N4 O5 |
SMILES | CO/N=C(C)/[C@]1(C(=NN(C1=O)C)C)N(C(=O)OC)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 | 9.44384 ± 0.00014 Å |
b | 6.72231 ± 0.00009 Å |
c | 10.34284 ± 0.00017 Å |
α | 90° |
β | 96.4986 ± 0.0014° |
γ | 90° |
Cell volume | 652.39 ± 0.017 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0259 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0648 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037203.html
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Users of the data should acknowledge the original authors of the
structural data.