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Information card for entry 7236659
Preview
| Coordinates | 7236659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H34 N2 O4 S2 |
|---|---|
| Calculated formula | C46 H34 N2 O4 S2 |
| Title of publication | Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor |
| Authors of publication | Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 574 |
| a | 7.2661 ± 0.0009 Å |
| b | 7.419 ± 0.0009 Å |
| c | 16.444 ± 0.002 Å |
| α | 91.005 ± 0.003° |
| β | 102.408 ± 0.004° |
| γ | 98.557 ± 0.002° |
| Cell volume | 854.98 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0997 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236395 (current) | 2019-11-24 | cif/ Adding structures of 7236659, 7236660 via cif-deposit CGI script. |
7236659.cif |
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Users of the data should acknowledge the original authors of the
structural data.