Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108425
Preview
Coordinates | 4108425.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,3,5,6,2',3',5'6'-ocatabromo-4,4'-dihexylbiphenyl |
---|---|
Formula | C24 H26 Br8 |
Calculated formula | C24 H26 Br8 |
Title of publication | 18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond |
Authors of publication | Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13392 - 13399 |
a | 13.3087 ± 0.0004 Å |
b | 17.4037 ± 0.0005 Å |
c | 24.3214 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5633.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0666 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0677 |
Weighted residual factors for all reflections included in the refinement | 0.0727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4108425.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.