Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113050
Preview
Coordinates | 7113050.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H34 |
---|---|
Calculated formula | C26 H34 |
SMILES | c12c(cccc1)c(c1c(c2CCCCCC)cccc1)CCCCCC |
Title of publication | Cerberus-type N-heterocyclic carbenes: synthesis and study of the first tritopic carbenes with D(3h)-symmetry. |
Authors of publication | Williams, Kyle A.; Bielawski, Christopher W. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 28 |
Pages of publication | 5166 - 5168 |
a | 7.8785 ± 0.0005 Å |
b | 17.1725 ± 0.0009 Å |
c | 8.2929 ± 0.0006 Å |
α | 90° |
β | 117.057 ± 0.002° |
γ | 90° |
Cell volume | 999.18 ± 0.11 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0587 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.1161 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
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/7113050.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.