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Information card for entry 1572792
Preview
| Coordinates | 1572792.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H78 Cl4 F2 N6 O2 S4 |
|---|---|
| Calculated formula | C81 H78 Cl4 F2 N6 O2 S4 |
| SMILES | Clc1c(Cl)cc2C(=O)/C(=C\c3sc4c(sc5c4n(c4c5c(F)c(F)c5c4n(c4c5sc5c4sc(c5C[C@@H](CC)C)/C=C/4C(=O)c5cc(Cl)c(Cl)cc5C4=C(C#N)C#N)C[C@H](CCCCCC)CCCC)C[C@@H](CCCC)CCCCCC)c3C[C@@H](CCCC)CC)C(=C(C#N)C#N)c2c1.Clc1c(Cl)cc2C(=O)/C(=C\c3sc4c(sc5c4n(c4c5c(F)c(F)c5c4n(c4c5sc5c4sc(c5C[C@H](CC)C)/C=C/4C(=O)c5cc(Cl)c(Cl)cc5C4=C(C#N)C#N)C[C@@H](CCCCCC)CCCC)C[C@H](CCCC)CCCCCC)c3C[C@H](CCCC)CC)C(=C(C#N)C#N)c2c1 |
| Title of publication | C-shaped ortho-benzodipyrrole-based acceptors with different electronic effects of top substituents for as-cast green-solvent processed high-performance organic solar cells |
| Authors of publication | Gong, Yufei; Zou, Tianwei; Li, Xiaojun; Qin, Shucheng; Sun, Guangpei; Liang, TongLing; Zhou, Ruimin; Zhang, Jianqi; Zhang, Jinyuan; Meng, Lei; Wei, Zhixiang; Li, Yongfang |
| Journal of publication | Energy & Environmental Science |
| Year of publication | 2024 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 6844 - 6855 |
| a | 24.291 ± 0.0009 Å |
| b | 23.969 ± 0.002 Å |
| c | 33.86 ± 0.0012 Å |
| α | 90° |
| β | 107.264 ± 0.004° |
| γ | 90° |
| Cell volume | 18826.2 ± 1.9 Å3 |
| Cell temperature | 170 ± 0.1 K |
| Ambient diffraction temperature | 170 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.2216 |
| Residual factor for significantly intense reflections | 0.129 |
| Weighted residual factors for significantly intense reflections | 0.236 |
| Weighted residual factors for all reflections included in the refinement | 0.271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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 |
|---|---|---|---|
| 295059 (current) | 2024-10-04 | cif/ Adding structures of 1572792, 1572793, 1572794 via cif-deposit CGI script. |
1572792.cif |
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Users of the data should acknowledge the original authors of the
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