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Information card for entry 2242520
Preview
| Coordinates | 2242520.cif |
|---|---|
| Structure factors | 2242520.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide |
|---|---|
| Chemical name | Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane |
| Formula | C27 H33 O4 P |
| Calculated formula | C27 H33 O4 P |
| SMILES | P(=O)(c1cc(c(OC)c(c1)C)C)(c1cc(c(OC)c(c1)C)C)c1cc(c(OC)c(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 | 11.28601 ± 0.00011 Å |
| b | 11.90008 ± 0.00011 Å |
| c | 36.3801 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4886.01 ± 0.08 Å3 |
| Cell temperature | 108.3 ± 0.4 K |
| Ambient diffraction temperature | 108.3 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
2242520.cif 2242520.hkl |
| 208133 | 2018-06-05 | cif/ hkl/ Adding structures of 2242517, 2242518, 2242519, 2242520 via cif-deposit CGI script. |
2242520.cif 2242520.hkl |
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Users of the data should acknowledge the original authors of the
structural data.