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Information card for entry 4003846
Preview
| Coordinates | 4003846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C121 H112 F4 N4 O2 S4 |
|---|---|
| Calculated formula | C121 H112 F4 N4 O2 S4 |
| Title of publication | Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors |
| Authors of publication | Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 14.47 ± 0.0005 Å |
| b | 19.616 ± 0.0006 Å |
| c | 35.4927 ± 0.0009 Å |
| α | 90° |
| β | 92.58 ± 0.003° |
| γ | 90° |
| Cell volume | 10064.2 ± 0.5 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1474 |
| Residual factor for significantly intense reflections | 0.0952 |
| Weighted residual factors for significantly intense reflections | 0.254 |
| Weighted residual factors for all reflections included in the refinement | 0.289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260205 (current) | 2020-12-30 | cif/ Adding structures of 4003844, 4003845, 4003846 via cif-deposit CGI script. |
4003846.cif |
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Users of the data should acknowledge the original authors of the
structural data.