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Information card for entry 7128185
Preview
| Coordinates | 7128185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C55.5 H75.5 Cl N6 P S |
|---|---|
| Calculated formula | C55.5 H75.5 Cl N6 P S |
| Title of publication | Lewis base-free thiophosphonium ion: a cationic sulfur atom transfer reagent. |
| Authors of publication | Löwe, Pawel; Witteler, Tim; Dielmann, Fabian |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 41 |
| Pages of publication | 5043 - 5046 |
| a | 12.5153 ± 0.0003 Å |
| b | 20.6933 ± 0.0004 Å |
| c | 21.869 ± 0.0005 Å |
| α | 97.8224 ± 0.001° |
| β | 104.482 ± 0.001° |
| γ | 96.7163 ± 0.0011° |
| Cell volume | 5365 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128185.cif |
| 265850 | 2021-06-05 | cif/ Updating files of 7128183, 7128184, 7128185 Original log message: Adding full bibliography for 7128183--7128185.cif. |
7128185.cif |
| 264283 | 2021-04-18 | cif/ Adding structures of 7128183, 7128184, 7128185 via cif-deposit CGI script. |
7128185.cif |
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Users of the data should acknowledge the original authors of the
structural data.