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Information card for entry 1559303
Preview
| Coordinates | 1559303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H95 B2 Cl F10 O4 S4 |
|---|---|
| Calculated formula | C81 H90 B2 F10 O4 S4 |
| Title of publication | Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices |
| Authors of publication | Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 48.916 ± 0.003 Å |
| b | 48.916 ± 0.003 Å |
| c | 13.7593 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 32923 ± 4 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.1567 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.2642 |
| Weighted residual factors for all reflections included in the refinement | 0.3243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258261 (current) | 2020-10-09 | cif/ Adding structures of 1559303 via cif-deposit CGI script. |
1559303.cif |
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Users of the data should acknowledge the original authors of the
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