Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4002737
Preview
Coordinates | 4002737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 S2 |
---|---|
Calculated formula | C18 H16 S2 |
SMILES | c1c2c(ccc1CC)c1c(s2)c2ccc(cc2s1)CC |
Title of publication | Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors |
Authors of publication | Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo |
Journal of publication | Chemistry of Materials |
Year of publication | 2017 |
Journal volume | 29 |
Journal issue | 3 |
Pages of publication | 1245 |
a | 7.8271 ± 0.0004 Å |
b | 8.3402 ± 0.0004 Å |
c | 12.3259 ± 0.0007 Å |
α | 90° |
β | 108.838 ± 0.0015° |
γ | 90° |
Cell volume | 761.53 ± 0.07 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1225 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.7093 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/4002737.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.