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Information card for entry 2242517
Preview
| Coordinates | 2242517.cif |
|---|---|
| Structure factors | 2242517.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Tris(3,5-dimethylphenyl)phosphine |
|---|---|
| Chemical name | Tris(3,5-dimethylphenyl)phosphane |
| Formula | C24 H27 P |
| Calculated formula | C24 H27 P |
| SMILES | P(c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C |
| Title of publication | Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides |
| Authors of publication | Hill, Nathan D. D.; Boeré, René T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 7 |
| Pages of publication | 889 - 894 |
| a | 14.38617 ± 0.00009 Å |
| b | 9.00514 ± 0.00005 Å |
| c | 17.22745 ± 0.00012 Å |
| α | 90° |
| β | 112.617 ± 0.0007° |
| γ | 90° |
| Cell volume | 2060.17 ± 0.02 Å3 |
| Cell temperature | 108.3 ± 0.2 K |
| Ambient diffraction temperature | 108.3 ± 0.2 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242517.cif 2242517.hkl |
| 208133 | 2018-06-05 | cif/ hkl/ Adding structures of 2242517, 2242518, 2242519, 2242520 via cif-deposit CGI script. |
2242517.cif 2242517.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.