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Information card for entry 7123028
Preview
| Coordinates | 7123028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H42.5 Cl6 O10.25 S5 |
|---|---|
| Calculated formula | C57 H42.5 Cl6 O10.25 S5 |
| Title of publication | A general approach to non-fullerene electron acceptors based on the corannulene motif |
| Authors of publication | Barát, Viktor; Budanović, Maja; Halilovic, Dzeneta; Huh, June; Webster, Richard D.; Mahadevegowda, Surendra H.; Stuparu, Mihaiela C. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.827 ± 0.0004 Å |
| b | 14.0069 ± 0.0003 Å |
| c | 15.7081 ± 0.0004 Å |
| α | 98.1609 ± 0.0008° |
| β | 105.782 ± 0.0009° |
| γ | 103.314 ± 0.0008° |
| Cell volume | 2780.05 ± 0.12 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0943 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213768 (current) | 2019-02-22 | cif/ Adding structures of 7123026, 7123027, 7123028 via cif-deposit CGI script. |
7123028.cif |
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Users of the data should acknowledge the original authors of the
structural data.