Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545590
Preview
| Coordinates | 1545590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H10 F2 N4 Se2 |
|---|---|
| Calculated formula | C26 H10 F2 N4 Se2 |
| SMILES | [se]1c2ccccc2c2[se]c3ccccc3c12.FC1C(=C(C#N)C#N)C=C(F)C(=C(C#N)C#N)C=1 |
| Title of publication | Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors |
| Authors of publication | Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2017 |
| a | 7.1911 ± 0.0013 Å |
| b | 8.039 ± 0.003 Å |
| c | 9.156 ± 0.003 Å |
| α | 80.96 ± 0.03° |
| β | 89.226 ± 0.019° |
| γ | 88.727 ± 0.019° |
| Cell volume | 522.6 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194333 (current) | 2017-03-18 | cif/ Adding structures of 1545588, 1545589, 1545590, 1545591 via cif-deposit CGI script. |
1545590.cif |
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.