Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7126779
Preview
Coordinates | 7126779.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H38 B F10 P |
---|---|
Calculated formula | C48 H38 B F10 P |
SMILES | [P@H+]1(C[C@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#Cc1ccccc1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P@@H+]1(C[C@@H](CC1)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C#Cc1ccccc1)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 | 12.0403 ± 0.0003 Å |
b | 13.4516 ± 0.0003 Å |
c | 13.5382 ± 0.0003 Å |
α | 111.455 ± 0.001° |
β | 95.241 ± 0.001° |
γ | 97.459 ± 0.002° |
Cell volume | 2000.43 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.0887 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.1814 |
Weighted residual factors for all reflections included in the refinement | 0.1987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
7126779.cif |
253461 | 2020-06-26 | cif/ Adding structures of 7126774, 7126775, 7126776, 7126777, 7126778, 7126779 via cif-deposit CGI script. |
7126779.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.