Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240217
Preview
| Coordinates | 7240217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H40 O2 S4 |
|---|---|
| Calculated formula | C38 H40 O2 S4 |
| Title of publication | New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials |
| Authors of publication | Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 21 |
| Pages of publication | 12378 - 12383 |
| a | 5.345 ± 0.0001 Å |
| b | 8.3039 ± 0.0002 Å |
| c | 18.8962 ± 0.0004 Å |
| α | 101.923 ± 0.002° |
| β | 93.255 ± 0.002° |
| γ | 98.322 ± 0.002° |
| Cell volume | 808.7 ± 0.03 Å3 |
| Cell temperature | 170 ± 0.11 K |
| Ambient diffraction temperature | 170 ± 0.11 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 all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240217.cif |
| 258115 | 2020-10-06 | cif/ Updating files of 7240217, 7240218 Original log message: Adding full bibliography for 7240217--7240218.cif. |
7240217.cif |
| 249782 | 2020-03-27 | cif/ Adding structures of 7240217, 7240218 via cif-deposit CGI script. |
7240217.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.