Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239569
Preview
Coordinates | 7239569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N O3 |
---|---|
Calculated formula | C18 H19 N O3 |
Title of publication | A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells |
Authors of publication | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme |
Journal of publication | J. Mater. Chem. A |
Year of publication | 2014 |
Journal volume | 2 |
Journal issue | 11 |
Pages of publication | 4055 |
a | 7.2314 ± 0.0002 Å |
b | 9.476 ± 0.0003 Å |
c | 11.6165 ± 0.0004 Å |
α | 82.094 ± 0.002° |
β | 82.082 ± 0.002° |
γ | 78.631 ± 0.002° |
Cell volume | 767.95 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0673 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7239569.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.