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Information card for entry 7247677
Preview
| Coordinates | 7247677.cif |
|---|---|
| Structure factors | 7247677.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']bisthiophene 2,7-diyl)bis{7-[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]-2,1,3- benzothiadiazole} acetone chloroform solvate |
|---|---|
| Formula | C189 H197 Cl3 N24 O36 S8 |
| Calculated formula | C189 H197 Cl3 N24 O36 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 | 11.3383 ± 0.0003 Å |
| b | 17.6646 ± 0.0005 Å |
| c | 25.5872 ± 0.0007 Å |
| α | 72.04 ± 0.001° |
| β | 79.167 ± 0.001° |
| γ | 82.071 ± 0.002° |
| Cell volume | 4770.6 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.2496 |
| Weighted residual factors for all reflections included in the refinement | 0.2525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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 |
|---|---|---|---|
| 287431 (current) | 2023-11-06 | cif/ hkl/ Adding structures of 7247677 via cif-deposit CGI script. |
7247677.cif 7247677.hkl |
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Users of the data should acknowledge the original authors of the
structural data.