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Information card for entry 1552160
Preview
| Coordinates | 1552160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H46 P2 |
|---|---|
| Calculated formula | C30 H46 P2 |
| Title of publication | A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation |
| Authors of publication | Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 5.9448 ± 0.0005 Å |
| b | 8.5877 ± 0.0007 Å |
| c | 14.1215 ± 0.0011 Å |
| α | 91.241 ± 0.001° |
| β | 100.093 ± 0.001° |
| γ | 91.146 ± 0.001° |
| Cell volume | 709.4 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552160.cif |
| 217441 | 2019-08-07 | cif/ Adding structures of 1552158, 1552159, 1552160, 1552161, 1552162 via cif-deposit CGI script. |
1552160.cif |
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Users of the data should acknowledge the original authors of the
structural data.