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Information card for entry 1552842
Preview
| Coordinates | 1552842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H6 O2 S2 |
|---|---|
| Calculated formula | C9 H6 O2 S2 |
| Title of publication | Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells |
| Authors of publication | Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 52 |
| Journal issue | 1 |
| Pages of publication | 341 |
| a | 6.052 ± 0.003 Å |
| b | 7.23 ± 0.004 Å |
| c | 10.735 ± 0.006 Å |
| α | 72.62 ± 0.02° |
| β | 86.1 ± 0.019° |
| γ | 69.463 ± 0.017° |
| Cell volume | 419.4 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0238 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227475 (current) | 2019-11-12 | cif/ Adding structures of 1552842 via cif-deposit CGI script. |
1552842.cif |
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Users of the data should acknowledge the original authors of the
structural data.