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Information card for entry 8107100
Preview
| Coordinates | 8107100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 N2 O2 |
|---|---|
| Calculated formula | C11 H14 N2 O2 |
| Title of publication | Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2 |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1069 - 1070 |
| a | 7.3227 ± 0.0003 Å |
| b | 10.9955 ± 0.0004 Å |
| c | 26.3709 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2123.3 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282768 (current) | 2023-04-20 | cif/ Adding structures of 8107100 via cif-deposit CGI script. |
8107100.cif |
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Users of the data should acknowledge the original authors of the
structural data.