Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250373
Preview
| Coordinates | 7250373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 O2 S4 |
|---|---|
| Calculated formula | C20 H14 O2 S4 |
| Title of publication | Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives |
| Authors of publication | Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 20 |
| Pages of publication | 15604 - 15608 |
| a | 9.5302 ± 0.0005 Å |
| b | 8.6654 ± 0.0004 Å |
| c | 12.0363 ± 0.0006 Å |
| α | 90° |
| β | 104.263 ± 0.002° |
| γ | 90° |
| Cell volume | 963.35 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0412 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299624 (current) | 2025-05-13 | cif/ Adding structures of 7250370, 7250371, 7250372, 7250373 via cif-deposit CGI script. |
7250373.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.