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Information card for entry 1564846
Preview
Coordinates | 1564846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H102 Br2 F2 N8 O2 S5 |
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Calculated formula | C90 H102 Br2 F2 N8 O2 S5 |
Title of publication | Non-fullerene acceptors with hetero-dihalogenated terminals induce significant difference in single crystallography and enable binary organic solar cells with 17.5% efficiency |
Authors of publication | Wang, Lai; An, Qiaoshi; Yan, Lu; Bai, Hai-Rui; Jiang, Mengyun; Mahmood, Asif; Yang, Can; Zhi, Hongfu; Wang, Jin-Liang |
Journal of publication | Energy & Environmental Science |
Year of publication | 2022 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 320 - 333 |
a | 26.7059 ± 0.0007 Å |
b | 23.0515 ± 0.0007 Å |
c | 31.3331 ± 0.0011 Å |
α | 90° |
β | 107.898 ± 0.003° |
γ | 90° |
Cell volume | 18355.5 ± 1 Å3 |
Cell temperature | 169.99 ± 0.12 K |
Ambient diffraction temperature | 169.99 ± 0.12 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 | 0.1987 |
Residual factor for significantly intense reflections | 0.1623 |
Weighted residual factors for significantly intense reflections | 0.4128 |
Weighted residual factors for all reflections included in the refinement | 0.4474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1564846.html
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