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Information card for entry 1567342
Preview
Coordinates | 1567342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H120 Cl6 N8 O2 S4 |
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Calculated formula | C104 H120 Cl6 N8 O2 S4 |
Title of publication | Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells |
Authors of publication | Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng |
Journal of publication | Energy & Environmental Science |
Year of publication | 2022 |
Journal volume | 15 |
Journal issue | 8 |
Pages of publication | 3519 - 3533 |
a | 15.4157 ± 0.0017 Å |
b | 17.5066 ± 0.0017 Å |
c | 19.617 ± 0.002 Å |
α | 95.374 ± 0.006° |
β | 102.99 ± 0.007° |
γ | 104.699 ± 0.006° |
Cell volume | 4925.7 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.284 |
Residual factor for significantly intense reflections | 0.1337 |
Weighted residual factors for significantly intense reflections | 0.2936 |
Weighted residual factors for all reflections included in the refinement | 0.3449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.346 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1567342.html
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Users of the data should acknowledge the original authors of the
structural data.