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Information card for entry 2004839
Preview
| Coordinates | 2004839.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H34 N2 O5 |
|---|---|
| Calculated formula | C23 H34 N2 O5 |
| SMILES | CC(=O)O[C@]1(C)CC/C=C(C)/CCC[C@H]([C@@H]2O[C@H]1C[C@@H]1[C@H]2OC(=O)[C@]21N=NCC2)C |
| Title of publication | A Pyrazoline Derivative of Eunicin Acetate |
| Authors of publication | Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 1272 - 1274 |
| a | 9.045 ± 0.001 Å |
| b | 29.148 ± 0.003 Å |
| c | 8.6766 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2287.5 ± 0.4 Å3 |
| Cell temperature | 163 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Goodness-of-fit parameter for significantly intense reflections | 1.5 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.