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Information card for entry 2006374
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| Coordinates | 2006374.cif |
|---|---|
| Structure factors | 2006374.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H22 N4 |
|---|---|
| Calculated formula | C14 H22 N4 |
| SMILES | CC1=C[C@H]2[C@H](CC1)n1nnnc1CCCC2(C)C |
| Title of publication | (1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene |
| Authors of publication | Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1139 - 1141 |
| a | 9.582 ± 0.001 Å |
| b | 10.495 ± 0.002 Å |
| c | 13.498 ± 0.003 Å |
| α | 90 ± 0.2° |
| β | 90 ± 0.3° |
| γ | 90 ± 0.3° |
| Cell volume | 1357.4 ± 0.4 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Goodness-of-fit parameter for significantly intense reflections | 1.829 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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