Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207294
Preview
| Coordinates | 7207294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (Z, Z)-cyclo[2](dibenzo[b,d]thiophen-2, 8-yl-ethylene) |
|---|---|
| Formula | C28 H16 S2 |
| Calculated formula | C28 H16 S2 |
| SMILES | c12c3c4c(ccc(c4)C=Cc4ccc5c(c4)c4c(ccc(c4)C=Cc(cc2)c3)s5)s1 |
| Title of publication | Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures |
| Authors of publication | Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 4 |
| Pages of publication | 1313 |
| a | 12.339 ± 0.003 Å |
| b | 4.748 ± 0.0009 Å |
| c | 16.949 ± 0.003 Å |
| α | 90° |
| β | 110.06 ± 0.03° |
| γ | 90° |
| Cell volume | 932.7 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0352 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207294.cif |
| 180403 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/72. |
7207294.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207294.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207294.cif |
| 33508 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207294, 7207295, 7207296 via cif-deposit CGI script. |
7207294.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.