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Information card for entry 7239216
Preview
| Coordinates | 7239216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H23 F6 N4 O6 P S2 |
|---|---|
| Calculated formula | C20 H23 F6 N4 O6 P S2 |
| Title of publication | P-oxidation of gem-dicationic phosphines |
| Authors of publication | Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 20391 |
| a | 15.7038 ± 0.0003 Å |
| b | 25.3224 ± 0.0003 Å |
| c | 13.7018 ± 0.0002 Å |
| α | 90° |
| β | 107.623 ± 0.0018° |
| γ | 90° |
| Cell volume | 5192.93 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for all reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0337 |
| Weighted residual factors for all reflections included in the refinement | 0.0337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1819 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239216.cif |
| 244602 | 2019-11-28 | cif/ Adding structures of 7239215, 7239216, 7239217, 7239218 via cif-deposit CGI script. |
7239216.cif |
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Users of the data should acknowledge the original authors of the
structural data.