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Information card for entry 1564399
Preview
Coordinates | 1564399.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H37 Br2 N S3 |
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Calculated formula | C29 H37 Br2 N S3 |
SMILES | Brc1sc(c2sc(cc2C#N)c2sc(Br)c(CCCCCCCC)c2)cc1CCCCCCCC |
Title of publication | A donor polymer based on 3-cyanothiophene with superior batch-to-batch reproducibility for high-efficiency organic solar cells |
Authors of publication | Yuan, Xiyue; Zhao, Yunli; Zhan, Tao; Oh, Jiyeon; Zhou, Jiadong; Li, Junyu; Wang, Xiaojing; Wang, Zhiqiang; Pang, Shuting; Cai, Ping; Yang, Changduk; He, Zhicai; Xie, Zengqi; Duan, Chunhui; Huang, Fei; Cao, Yong |
Journal of publication | Energy & Environmental Science |
Year of publication | 2021 |
Journal volume | 14 |
Journal issue | 10 |
Pages of publication | 5530 - 5540 |
a | 13.9722 ± 0.0007 Å |
b | 17.5232 ± 0.0008 Å |
c | 19.1562 ± 0.0009 Å |
α | 94.993 ± 0.004° |
β | 108.44 ± 0.004° |
γ | 91.696 ± 0.004° |
Cell volume | 4424.4 ± 0.4 Å3 |
Cell temperature | 149.98 ± 0.1 K |
Ambient diffraction temperature | 149.98 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1726 |
Residual factor for significantly intense reflections | 0.0857 |
Weighted residual factors for significantly intense reflections | 0.2003 |
Weighted residual factors for all reflections included in the refinement | 0.2572 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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