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Information card for entry 4518665
Preview
| Coordinates | 4518665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 F3 O5 P S |
|---|---|
| Calculated formula | C29 H24 F3 O5 P S |
| Title of publication | Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis |
| Authors of publication | Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 5452 - 5462 |
| a | 10.5938 ± 0.0002 Å |
| b | 15.2705 ± 0.0002 Å |
| c | 16.8486 ± 0.0002 Å |
| α | 90° |
| β | 95.456 ± 0.001° |
| γ | 90° |
| Cell volume | 2713.29 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264783 (current) | 2021-05-03 | cif/ Adding structures of 4518664, 4518665 via cif-deposit CGI script. |
4518665.cif |
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