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Information card for entry 7237165
Preview
| Coordinates | 7237165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H18 B F7 N2 O4 |
|---|---|
| Calculated formula | C29 H18 B F7 N2 O4 |
| Title of publication | Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells |
| Authors of publication | Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 38 |
| Pages of publication | 18583 |
| a | 7.6728 ± 0.0003 Å |
| b | 12.677 ± 0.0006 Å |
| c | 13.41465 ± 0.00019 Å |
| α | 102.618 ± 0.003° |
| β | 90.338 ± 0.002° |
| γ | 100.899 ± 0.004° |
| Cell volume | 1248.82 ± 0.08 Å3 |
| Cell temperature | 99.9 ± 0.2 K |
| Ambient diffraction temperature | 99.9 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237467 (current) | 2019-11-24 | cif/ Adding structures of 7237164, 7237165, 7237166 via cif-deposit CGI script. |
7237165.cif |
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Users of the data should acknowledge the original authors of the
structural data.