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Information card for entry 2006065
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| Coordinates | 2006065.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Diphenylphosphinoyl-1,3-dioxane ? |
|---|---|
| Formula | C16 H17 O3 P |
| Calculated formula | C16 H17 O3 P |
| SMILES | O1C(OCCC1)P(=O)(c1ccccc1)c1ccccc1 |
| Title of publication | 2-(Diphenylphosphinoyl)-1,3-dioxane |
| Authors of publication | Majzner, W. R.; Wieczorek, M. W.; Mikołajczyk, M.; Graczyk, P. P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 467 - 469 |
| a | 9.0191 ± 0.0009 Å |
| b | 10.715 ± 0.002 Å |
| c | 15.374 ± 0.002 Å |
| α | 90° |
| β | 94.382 ± 0.01° |
| γ | 90° |
| Cell volume | 1481.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections | 0.156 |
| Weighted residual factors for significantly intense reflections | 0.1362 |
| Goodness-of-fit parameter for all reflections | 1.067 |
| Goodness-of-fit parameter for significantly intense reflections | 1.135 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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