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Information card for entry 2005560
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-(di-isopropylamino)prop-2-enal |
|---|---|
| Formula | C9 H17 N O |
| Calculated formula | C9 H15.588 N O |
| SMILES | O=C/C=C/N(C(C)C)C(C)C |
| Title of publication | Two C-Unsubstituted Enaminals |
| Authors of publication | Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2814 - 2818 |
| a | 8.304 ± 0.003 Å |
| b | 11.163 ± 0.005 Å |
| c | 11.802 ± 0.006 Å |
| α | 102.08 ± 0.03° |
| β | 98.93 ± 0.03° |
| γ | 109.48 ± 0.02° |
| Cell volume | 978 ± 0.8 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections | 0.1844 |
| Weighted residual factors for significantly intense reflections | 0.1598 |
| Goodness-of-fit parameter for all reflections | 0.984 |
| Goodness-of-fit parameter for significantly intense reflections | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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