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Information card for entry 2203557
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| Coordinates | 2203557.cif |
|---|---|
| Structure factors | 2203557.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,5-di-tert-butyl-2-hydroxybenzaldehyde |
|---|---|
| Formula | C15 H22 O2 |
| Calculated formula | C15 H22 O2 |
| Title of publication | 3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde |
| Authors of publication | Duncan M. Tooke; Anthony L. Spek |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o766 - o767 |
| a | 11.627 ± 0.001 Å |
| b | 10.1214 ± 0.0007 Å |
| c | 25.461 ± 0.002 Å |
| α | 90° |
| β | 111.326 ± 0.003° |
| γ | 90° |
| Cell volume | 2791.1 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.