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Information card for entry 7237166
Preview
| Coordinates | 7237166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H18 B F9 N2 O4 |
|---|---|
| Calculated formula | C30 H18 B F9 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 | 11.7774 ± 0.0004 Å |
| b | 15.2002 ± 0.0004 Å |
| c | 17.0421 ± 0.0004 Å |
| α | 93.918 ± 0.002° |
| β | 105.682 ± 0.003° |
| γ | 97.023 ± 0.003° |
| Cell volume | 2898.8 ± 0.15 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 0.3 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237166.cif |
| 237467 | 2019-11-24 | cif/ Adding structures of 7237164, 7237165, 7237166 via cif-deposit CGI script. |
7237166.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.