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Information card for entry 7126778
Preview
| Coordinates | 7126778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H44 B F10 O P |
|---|---|
| Calculated formula | C55 H44 B F10 O P |
| SMILES | [P@+]12(C[C@@H](CC1)[B](OC(=C[C@H]2c1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P@@+]12(C[C@H](CC1)[B](OC(=C[C@@H]2c1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair. |
| Authors of publication | Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 62 |
| Pages of publication | 8806 - 8809 |
| a | 12.0862 ± 0.0003 Å |
| b | 17.6699 ± 0.0004 Å |
| c | 21.1798 ± 0.0005 Å |
| α | 90° |
| β | 99.967 ± 0.001° |
| γ | 90° |
| Cell volume | 4454.93 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256008 (current) | 2020-09-06 | cif/ Updating files of 7126774, 7126775, 7126776, 7126777, 7126778, 7126779 Original log message: Adding full bibliography for 7126774--7126779.cif. |
7126778.cif |
| 253461 | 2020-06-26 | cif/ Adding structures of 7126774, 7126775, 7126776, 7126777, 7126778, 7126779 via cif-deposit CGI script. |
7126778.cif |
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Users of the data should acknowledge the original authors of the
structural data.