Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4000984
Preview
Coordinates | 4000984.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C14-BSBS |
---|---|
Chemical name | C14-BSBS |
Formula | C42 H64 Se2 |
Calculated formula | C42 H64 Se2 |
SMILES | CCCCCCCCCCCCCCc1ccc2c(c1)[se]c1c2[se]c2c1ccc(c2)CCCCCCCCCCCCCC |
Title of publication | Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics |
Authors of publication | Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo |
Journal of publication | Chemistry of Materials |
Year of publication | 2009 |
Journal volume | 21 |
Journal issue | 5 |
Pages of publication | 903 |
a | 5.5648 ± 0.0006 Å |
b | 7.3316 ± 0.0008 Å |
c | 45.334 ± 0.004 Å |
α | 90° |
β | 93.289 ± 0.003° |
γ | 90° |
Cell volume | 1846.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0756 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1433 |
Weighted residual factors for all reflections included in the refinement | 0.1527 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71075 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/4000984.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.