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Information card for entry 7247678
Preview
| Coordinates | 7247678.cif |
|---|---|
| Structure factors | 7247678.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5,5'-((((4,4,9,9-tetrahexadecyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b'] dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl)) bis(furan-5,2-diyl))bis(methaneylylidene)) bis(3-ethyl-2-thioxothiazolidin-4-one) acetone solvate |
|---|---|
| Formula | C112 H156 N6 O4 S8 |
| Calculated formula | C112 H156 N6 O4 S8 |
| Title of publication | Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics |
| Authors of publication | Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka |
| Journal of publication | Journal of Material Chemistry C |
| Year of publication | 2023 |
| Journal volume | 11 |
| Pages of publication | 8186 - 8195 |
| a | 28.704 ± 0.003 Å |
| b | 27.446 ± 0.003 Å |
| c | 15.1128 ± 0.0016 Å |
| α | 90° |
| β | 93.631 ± 0.005° |
| γ | 90° |
| Cell volume | 11882 ± 2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1314 |
| Residual factor for significantly intense reflections | 0.125 |
| Weighted residual factors for significantly intense reflections | 0.4312 |
| Weighted residual factors for all reflections included in the refinement | 0.442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.363 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287432 (current) | 2023-11-06 | cif/ hkl/ Adding structures of 7247678 via cif-deposit CGI script. |
7247678.cif 7247678.hkl |
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Users of the data should acknowledge the original authors of the
structural data.