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Information card for entry 1577421
Preview
| Coordinates | 1577421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H34 N2 O |
|---|---|
| Calculated formula | C43 H34 N2 O |
| Title of publication | Inhibition of shuttle effect in organic cathode and in situ mechanistic exploration |
| Authors of publication | Gong, Yanxiang; Jia, Yiran; Yang, Jie; Zhang, Jun; Xia, Meng; Wang, Xi-Yang; Wang, Yunsheng; Tao, Ying; Fang, Manman; Yang, Quan-Hong; Zhong Tang, Ben; Li, Zhen |
| Journal of publication | Energy & Environmental Science |
| Year of publication | 2026 |
| a | 8.0841 ± 0.0003 Å |
| b | 15.6107 ± 0.0007 Å |
| c | 25.5418 ± 0.0012 Å |
| α | 90° |
| β | 90.58 ± 0.002° |
| γ | 90° |
| Cell volume | 3223.2 ± 0.2 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306597 (current) | 2026-06-19 | cif/ Adding structures of 1577420, 1577421, 1577422 via cif-deposit CGI script. |
1577421.cif |
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Users of the data should acknowledge the original authors of the
structural data.