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Information card for entry 1574889
Preview
| Coordinates | 1574889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H120 Cl12 F12 K2 O16 P2 |
|---|---|
| Calculated formula | C136 H120 Cl12 F12 K2 O16 P2 |
| 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 | 22.914 ± 0.016 Å |
| b | 23.096 ± 0.014 Å |
| c | 25.886 ± 0.018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13699 ± 16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0964 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.2048 |
| Weighted residual factors for all reflections included in the refinement | 0.2215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 300124 (current) | 2025-06-19 | cif/ Adding structures of 1574889, 1574890 via cif-deposit CGI script. |
1574889.cif |
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Users of the data should acknowledge the original authors of the
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