Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233438
Preview
| Coordinates | 7233438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H22 O S |
|---|---|
| Calculated formula | C32 H22 O S |
| SMILES | s1c(ccc1c1oc(cc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1 |
| Title of publication | Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence |
| Authors of publication | Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 4163 - 4170 |
| a | 5.7894 ± 0.0002 Å |
| b | 7.6083 ± 0.0004 Å |
| c | 49.676 ± 0.003 Å |
| α | 87.332 ± 0.004° |
| β | 89.233 ± 0.003° |
| γ | 89.946 ± 0.004° |
| Cell volume | 2185.54 ± 0.19 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.2954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233438.cif |
| 217708 | 2019-08-26 | cif/ Adding structures of 7233438 via cif-deposit CGI script. |
7233438.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.