Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128415
Preview
Coordinates | 4128415.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 B2 Li2 O4 |
---|---|
Calculated formula | C42 H54 B2 Li2 O4 |
Title of publication | Dual Role of Doubly Reduced Arylboranes as Dihydrogen- and Hydride-Transfer Catalysts. |
Authors of publication | von Grotthuss, Esther; Prey, Sven E.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 14 |
Pages of publication | 6082 - 6091 |
a | 9.1549 ± 0.0007 Å |
b | 9.8159 ± 0.0007 Å |
c | 11.6092 ± 0.0009 Å |
α | 69.862 ± 0.006° |
β | 79.949 ± 0.006° |
γ | 81.811 ± 0.006° |
Cell volume | 960.6 ± 0.13 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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.141 |
Weighted residual factors for all reflections included in the refinement | 0.1523 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128415.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.