Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2011986
Preview
Coordinates | 2011986.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1) |
---|---|
Formula | C26 H12 F4 N4 |
Calculated formula | C26 H12 F4 N4 |
SMILES | c1ccc(cc1)/C=C/c1ccccc1.N#CC(=c1c(F)c(F)c(=C(C#N)C#N)c(c1F)F)C#N |
Title of publication | The charge-transfer complex <i>trans</i>-STB‒TCNQF~4~ |
Authors of publication | Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 5 |
Pages of publication | 564 - 565 |
a | 9.555 ± 0.002 Å |
b | 6.287 ± 0.002 Å |
c | 17.295 ± 0.002 Å |
α | 90° |
β | 99.99 ± 0.01° |
γ | 90° |
Cell volume | 1023.2 ± 0.4 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.087 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 2011987 |
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/2011986.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.