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Information card for entry 7122872
Preview
| Coordinates | 7122872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | DB-14 |
|---|---|
| Formula | C27 H21 Cr O5 P S |
| Calculated formula | C27 H21 Cr O5 P S |
| Title of publication | Synthesis of free and ligated 1,2-thiaphosphetanes ‒ expanding the pool of strained P-ligands |
| Authors of publication | Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 11.9943 ± 0.0005 Å |
| b | 13.8498 ± 0.0005 Å |
| c | 15.1345 ± 0.0007 Å |
| α | 90° |
| β | 102.337 ± 0.002° |
| γ | 90° |
| Cell volume | 2456.07 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213211 (current) | 2019-01-19 | cif/ Adding structures of 7122871, 7122872, 7122873, 7122874 via cif-deposit CGI script. |
7122872.cif |
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