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Information card for entry 2101496
Preview
| Coordinates | 2101496.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C19 H21 N3 O2 |
|---|---|
| Calculated formula | C19 H21 N3 O2 |
| SMILES | O=C1N=C([C@](N1c1ccccc1)(O)c1ccccc1)NC(C)(C)C |
| Title of publication | The crystal packing modes of three sterically overcrowded imidazole derivatives |
| Authors of publication | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 2 |
| Pages of publication | 369 - 375 |
| a | 8.321 ± 0.002 Å |
| b | 12.411 ± 0.004 Å |
| c | 17.008 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1756.4 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Goodness-of-fit parameter for significantly intense reflections | 4.06 |
| Diffraction radiation wavelength | 1.5418 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.