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Information card for entry 4324466
Preview
| Coordinates | 4324466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 F17 N O3 P |
|---|---|
| Calculated formula | C15 H11 F17 N O3 P |
| SMILES | P(=O)(O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH3+]c1ccc(cc1)C |
| Title of publication | Reaction of Perfluoroalkyl Grignard Reagents with Phosphorus Trihalides: A New Route to Perfluoroalkyl-phosphonous and -phosphonic Acids |
| Authors of publication | Adil I. Hosein; Xavier F. Le Goff; Louis Ricard; Andrew J. M. Caffyn |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 1484 - 1490 |
| a | 18.909 ± 0.001 Å |
| b | 17.485 ± 0.001 Å |
| c | 6.732 ± 0.001 Å |
| α | 90° |
| β | 98.397 ± 0.001° |
| γ | 90° |
| Cell volume | 2201.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0894 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324466.cif |
| 179347 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44. |
4324466.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324466.cif |
| 41174 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324466 via cif-deposit CGI script. |
4324466.cif |
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Users of the data should acknowledge the original authors of the
structural data.