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Information card for entry 1567344
Preview
Coordinates | 1567344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H120 Cl4 F2 N8 O2 S4 |
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Calculated formula | C104 H120 Cl4 F2 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 | 41.303 ± 0.004 Å |
b | 41.303 ± 0.004 Å |
c | 32.517 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 48040 ± 9 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.1728 |
Residual factor for significantly intense reflections | 0.0932 |
Weighted residual factors for significantly intense reflections | 0.2468 |
Weighted residual factors for all reflections included in the refinement | 0.3145 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277666 (current) | 2022-09-06 | cif/ Updating files of 1567342, 1567343, 1567344 Original log message: Adding full bibliography for 1567342--1567344.cif. |
1567344.cif |
276851 | 2022-07-23 | cif/ Adding structures of 1567344 via cif-deposit CGI script. |
1567344.cif |
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Users of the data should acknowledge the original authors of the
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