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Information card for entry 7250370
Preview
| Coordinates | 7250370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 S4 |
|---|---|
| Calculated formula | C18 H10 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 | 9.2957 ± 0.0002 Å |
| b | 10.6694 ± 0.0002 Å |
| c | 15.5017 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1537.45 ± 0.05 Å3 |
| Cell temperature | 655 K |
| Ambient diffraction temperature | 655 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| 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. |
7250370.cif |
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Users of the data should acknowledge the original authors of the
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