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Information card for entry 2012237
Preview
| Coordinates | 2012237.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Amino-2-nitraminoethane |
|---|---|
| Formula | C2 H7 N3 O2 |
| Calculated formula | C2 H7 N3 O2 |
| SMILES | N(=O)(=O)[N-]CC[NH3+] |
| Title of publication | 1-Amino-2-nitraminoethane |
| Authors of publication | Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1192 - 1193 |
| a | 4.3449 ± 0.0002 Å |
| b | 6.2955 ± 0.0003 Å |
| c | 8.5432 ± 0.0005 Å |
| α | 105.24 ± 0.005° |
| β | 92.743 ± 0.004° |
| γ | 96.356 ± 0.004° |
| Cell volume | 223.36 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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