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Information card for entry 7239218
Preview
| Coordinates | 7239218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H26 F6 N5 O7 P S2 |
|---|---|
| Calculated formula | C22 H26 F6 N5 O7 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 | 10.2649 ± 0.0003 Å |
| b | 12.1611 ± 0.0004 Å |
| c | 12.7816 ± 0.0004 Å |
| α | 81.178 ± 0.002° |
| β | 71.935 ± 0.002° |
| γ | 72.878 ± 0.002° |
| Cell volume | 1446.29 ± 0.08 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections included in the refinement | 0.0379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1243 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7239218.cif |
| 244602 | 2019-11-28 | cif/ Adding structures of 7239215, 7239216, 7239217, 7239218 via cif-deposit CGI script. |
7239218.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.