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Information card for entry 4518664
Preview
| Coordinates | 4518664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H36 B Cl2 F24 P |
|---|---|
| Calculated formula | C58 H32 B F24 P |
| 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 | 13.4192 ± 0.0002 Å |
| b | 25.996 ± 0.0004 Å |
| c | 18.4476 ± 0.0002 Å |
| α | 90° |
| β | 101.882 ± 0.001° |
| γ | 90° |
| Cell volume | 6297.48 ± 0.15 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1944 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264783 (current) | 2021-05-03 | cif/ Adding structures of 4518664, 4518665 via cif-deposit CGI script. |
4518664.cif |
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