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Information card for entry 1572859
Preview
| Coordinates | 1572859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl N3 O |
|---|---|
| Calculated formula | C16 H16 Cl N3 O |
| Title of publication | Dynamic organic crystal as exceptionally efficient artificial natural light-harvesting actuator |
| Authors of publication | Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 5.2898 ± 0.0002 Å |
| b | 7.8669 ± 0.0003 Å |
| c | 17.559 ± 0.0006 Å |
| α | 99.161 ± 0.003° |
| β | 96.187 ± 0.003° |
| γ | 90.692 ± 0.003° |
| Cell volume | 716.87 ± 0.05 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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 |
|---|---|---|---|
| 295437 (current) | 2024-10-12 | cif/ Adding structures of 1572859, 1572860 via cif-deposit CGI script. |
1572859.cif |
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Users of the data should acknowledge the original authors of the
structural data.