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Information card for entry 1574596
Preview
| Coordinates | 1574596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C155 H183 Cl3 Cs2 F12 N30 O15 S4 |
|---|---|
| Calculated formula | C136 H140 Cs2 F12 N30 O12 S4 |
| Title of publication | A Conformationally Adaptable Tetrahedral Cage with Different Guest Encapsulation Models |
| Authors of publication | Tang, Hua; Lu, Yuyang; Qian, Yongwei; Ge, Chenqi; Liu, Jiyong; Chen, Hongliang; Li, Hao |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 15.9658 ± 0.001 Å |
| b | 16.1176 ± 0.001 Å |
| c | 33.451 ± 0.002 Å |
| α | 81.578 ± 0.002° |
| β | 82.615 ± 0.002° |
| γ | 84.009 ± 0.002° |
| Cell volume | 8412.3 ± 0.9 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.2117 |
| Weighted residual factors for all reflections included in the refinement | 0.2207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299602 (current) | 2025-05-10 | cif/ Adding structures of 1574594, 1574595, 1574596 via cif-deposit CGI script. |
1574596.cif |
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Users of the data should acknowledge the original authors of the
structural data.