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Information card for entry 1552161
Preview
| Coordinates | 1552161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H68 P2 Ti |
|---|---|
| Calculated formula | C52 H68 P2 Ti |
| 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 | 25.4903 ± 0.0014 Å |
| b | 11.6583 ± 0.0006 Å |
| c | 16.449 ± 0.0009 Å |
| α | 90° |
| β | 107.897 ± 0.001° |
| γ | 90° |
| Cell volume | 4651.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217441 (current) | 2019-08-07 | cif/ Adding structures of 1552158, 1552159, 1552160, 1552161, 1552162 via cif-deposit CGI script. |
1552161.cif |
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Users of the data should acknowledge the original authors of the
structural data.