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Information card for entry 1565020
Preview
| Coordinates | 1565020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H89 F4 N9 O3 S2 Se2 |
|---|---|
| Calculated formula | C83 H89 F4 N9 O3 S2 Se2 |
| Title of publication | Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. |
| Authors of publication | Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. |
| Journal of publication | Materials horizons |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 403 - 410 |
| a | 11.7514 ± 0.0012 Å |
| b | 17.3977 ± 0.0017 Å |
| c | 19.925 ± 0.002 Å |
| α | 102.675 ± 0.006° |
| β | 98.649 ± 0.006° |
| γ | 99.031 ± 0.005° |
| Cell volume | 3852.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1415 |
| Residual factor for significantly intense reflections | 0.0774 |
| Weighted residual factors for significantly intense reflections | 0.2064 |
| Weighted residual factors for all reflections included in the refinement | 0.2464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272791 (current) | 2022-02-04 | cif/ Updating files of 1565020, 1565021, 1565022 Original log message: Adding full bibliography for 1565020--1565022.cif. |
1565020.cif |
| 270044 | 2021-10-20 | cif/ Adding structures of 1565020, 1565021, 1565022 via cif-deposit CGI script. |
1565020.cif |
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Users of the data should acknowledge the original authors of the
structural data.