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Information card for entry 8101006
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| Coordinates | 8101006.cif |
|---|
| Formula | C20 H20 N4 O6 |
|---|---|
| Calculated formula | C20 H20 N4 O6 |
| SMILES | [O-]c1c(/C=[NH+]/[C@H]2[C@@H](/N=C/c3c(O)ccc(N(=O)=O)c3)CCCC2)cc(N(=O)=O)cc1 |
| Title of publication | Crystal structure of N,N'-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~ |
| Authors of publication | Mathuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, G. R. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 383 - 384 |
| a | 9.1865 ± 0.0004 Å |
| b | 10.7102 ± 0.0007 Å |
| c | 19.865 ± 0.001 Å |
| α | 90° |
| β | 92.099 ± 0.003° |
| γ | 90° |
| Cell volume | 1953.2 ± 0.2 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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