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Information card for entry 1569355
Preview
Coordinates | 1569355.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Qx-o-4F |
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Formula | C104 H110 F6 N8 O2 S4 |
Calculated formula | C105.154 H111.154 Cl3.462 F6 N8 O2 S4 |
Title of publication | Selective halogenation of central and end-units of nonfullerene acceptors enables enhanced molecular packing and photovoltaic performance |
Authors of publication | Xie, Meiling; Shi, Yanan; Zhu, Lingyun; Zhang, Jianqi; Cheng, Qian; Zhang, Hao; Yan, Yangjun; Zhu, Mingquan; Zhou, Huiqiong; Lu, Kun; Wei, Zhixiang |
Journal of publication | Energy & Environmental Science |
Year of publication | 2023 |
Journal volume | 16 |
Journal issue | 8 |
Pages of publication | 3543 - 3551 |
a | 22.0344 ± 0.0004 Å |
b | 27.1704 ± 0.0004 Å |
c | 38.5671 ± 0.0007 Å |
α | 90° |
β | 98.0928 ± 0.0017° |
γ | 90° |
Cell volume | 22859.5 ± 0.7 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1246 |
Residual factor for significantly intense reflections | 0.1023 |
Weighted residual factors for significantly intense reflections | 0.2314 |
Weighted residual factors for all reflections included in the refinement | 0.243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1569355.html
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Users of the data should acknowledge the original authors of the
structural data.