Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544152
Preview
Coordinates | 1544152.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H8 B2 F20 |
---|---|
Calculated formula | C29 H8 B2 F20 |
SMILES | B1([C@H](B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C[C@@H]([C@H]1c1c(F)c(F)c(F)c(F)c1F)C)c1c(F)c(F)c(F)c(F)c1F.B1([C@@H](B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C[C@H]([C@@H]1c1c(F)c(F)c(F)c(F)c1F)C)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide. |
Authors of publication | Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard |
Journal of publication | Chemical science |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 1097 - 1104 |
a | 10.7742 ± 0.0005 Å |
b | 9.7124 ± 0.0004 Å |
c | 26.4759 ± 0.0011 Å |
α | 90° |
β | 97.347 ± 0.001° |
γ | 90° |
Cell volume | 2747.8 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0493 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1544152.html
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.