Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084515
Preview
Coordinates | 4084515.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C108 H183 Al2 Li2 O3 |
---|---|
Calculated formula | C108 H183 Al2 Li2 O3 |
SMILES | [AlH]1([H][Li]([H]1)[O](CC)CC)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[AlH]1([H][Li]([H]1)([O](CC)CC)[O](CC)CC)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC.CCCCCC |
Title of publication | Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions |
Authors of publication | Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6232 |
a | 16.37 ± 0.003 Å |
b | 18.73 ± 0.003 Å |
c | 19.489 ± 0.003 Å |
α | 110.509 ± 0.002° |
β | 95.876 ± 0.002° |
γ | 105.039 ± 0.002° |
Cell volume | 5280.2 ± 1.5 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.1277 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4084515.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.