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Information card for entry 1574890
Preview
| Coordinates | 1574890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H73.5 O8 |
|---|---|
| Calculated formula | C80 H73.5 O8 |
| Title of publication | Crown Ether-Cycloparaphenylene Hybrid Multimacrocycles: Insights into Supramolecular Gas Sensing and Biological Potential |
| Authors of publication | Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuanqing; Liu, Qi; Wu, Di; Xu, Youzhi |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 21.9739 ± 0.0014 Å |
| b | 21.8794 ± 0.0013 Å |
| c | 27.0805 ± 0.0016 Å |
| α | 90° |
| β | 106.434 ± 0.003° |
| γ | 90° |
| Cell volume | 12487.7 ± 1.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1527 |
| Residual factor for significantly intense reflections | 0.114 |
| Weighted residual factors for significantly intense reflections | 0.3217 |
| Weighted residual factors for all reflections included in the refinement | 0.3659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
| 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 |
|---|---|---|---|
| 300124 (current) | 2025-06-19 | cif/ Adding structures of 1574889, 1574890 via cif-deposit CGI script. |
1574890.cif |
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Users of the data should acknowledge the original authors of the
structural data.