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Information card for entry 1574594
Preview
| Coordinates | 1574594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H134 Cl6 N28 |
|---|---|
| Calculated formula | C132 H133 N28 |
| 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 | 13.0765 ± 0.0008 Å |
| b | 17.2821 ± 0.0011 Å |
| c | 30.4781 ± 0.0019 Å |
| α | 75.352 ± 0.002° |
| β | 81.6 ± 0.002° |
| γ | 71.934 ± 0.002° |
| Cell volume | 6318.2 ± 0.7 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1713 |
| Residual factor for significantly intense reflections | 0.0922 |
| Weighted residual factors for significantly intense reflections | 0.2715 |
| Weighted residual factors for all reflections included in the refinement | 0.3302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299602 (current) | 2025-05-10 | cif/ Adding structures of 1574594, 1574595, 1574596 via cif-deposit CGI script. |
1574594.cif |
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Users of the data should acknowledge the original authors of the
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