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Information card for entry 7712668
Preview
| Coordinates | 7712668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H50 B F15 P2 |
|---|---|
| Calculated formula | C61 H50 B F15 P2 |
| SMILES | P([P+](C)(C)C)(/C(=C/[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)C)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(cc1C)C.c1cc(C)ccc1 |
| Title of publication | Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines |
| Authors of publication | Kim, Hyehwang; Stephan, Douglas W. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.8941 ± 0.0018 Å |
| b | 14.241 ± 0.002 Å |
| c | 16.718 ± 0.002 Å |
| α | 102.523 ± 0.009° |
| β | 105.847 ± 0.009° |
| γ | 106.974 ± 0.009° |
| Cell volume | 2673.8 ± 0.7 Å3 |
| Cell temperature | 149.99 K |
| Ambient diffraction temperature | 149.99 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1911 |
| Residual factor for significantly intense reflections | 0.1309 |
| Weighted residual factors for significantly intense reflections | 0.3459 |
| Weighted residual factors for all reflections included in the refinement | 0.3844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282059 (current) | 2023-03-25 | cif/ Adding structures of 7712668, 7712669, 7712670, 7712671 via cif-deposit CGI script. |
7712668.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.