Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107551
Preview
| Coordinates | 8107551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H4 O2 S4 |
|---|---|
| Calculated formula | C14 H4 O2 S4 |
| Title of publication | Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4 |
| Authors of publication | Jia, Yan; Yu, Pengling; Li, Shihui; Zhao, Yumei; Zheng, Xiaoxin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 751 - 752 |
| a | 3.8518 ± 0.0001 Å |
| b | 8.9728 ± 0.0002 Å |
| c | 18.0073 ± 0.0004 Å |
| α | 90° |
| β | 93.554 ± 0.001° |
| γ | 90° |
| Cell volume | 621.16 ± 0.03 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286530 (current) | 2023-09-26 | cif/ Adding structures of 8107551 via cif-deposit CGI script. |
8107551.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.