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Information card for entry 8107044
Preview
| Coordinates | 8107044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H17 N O2 |
|---|---|
| Calculated formula | C11 H17 N O2 |
| Title of publication | Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, C11H17NO2 |
| Authors of publication | Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 903 - 905 |
| a | 5.9245 ± 0.0002 Å |
| b | 17.7243 ± 0.0006 Å |
| c | 10.2915 ± 0.0004 Å |
| α | 90° |
| β | 95.352 ± 0.001° |
| γ | 90° |
| Cell volume | 1075.97 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282453 (current) | 2023-04-06 | cif/ Adding structures of 8107044 via cif-deposit CGI script. |
8107044.cif |
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Users of the data should acknowledge the original authors of the
structural data.