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Information card for entry 7712670
Preview
| Coordinates | 7712670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 B F15 N P2 |
|---|---|
| Calculated formula | C37 H33 B F15 N P2 |
| SMILES | P([P+](CC)(CC)CC)(N(CC)CC)/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 |
| 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 | 12.0729 ± 0.0007 Å |
| b | 16.071 ± 0.0012 Å |
| c | 19.3022 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3745.1 ± 0.4 Å3 |
| Cell temperature | 149.98 K |
| Ambient diffraction temperature | 149.98 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
7712670.cif |
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Users of the data should acknowledge the original authors of the
structural data.