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Information card for entry 2006143
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| Coordinates | 2006143.cif |
|---|---|
| Structure factors | 2006143.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Phenyldibenzophosphole |
|---|---|
| Formula | C18 H13 P |
| Calculated formula | C18 H13 P |
| SMILES | P1(c2ccccc2c2c1cccc2)c1ccccc1 |
| Title of publication | 5-Phenyldibenzophosphole, Polymorph 2 |
| Authors of publication | Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | IUC9700001 |
| a | 6.0178 ± 0.0006 Å |
| b | 28.449 ± 0.003 Å |
| c | 8.0272 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1374.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections | 0.971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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