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Information card for entry 1574595
Preview
| Coordinates | 1574595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C169 H217 Cl10.02 N29 O5 |
|---|---|
| Calculated formula | C136 H143.999 Cl1.0148 N29 |
| 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 | 32.4774 ± 0.0007 Å |
| b | 32.4774 ± 0.0007 Å |
| c | 32.4774 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 34256.6 ± 1.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 203 |
| Hermann-Mauguin space group symbol | F d -3 :2 |
| Hall space group symbol | -F 2uv 2vw 3 |
| Residual factor for all reflections | 0.1041 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.296 |
| Weighted residual factors for all reflections included in the refinement | 0.319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
| 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. |
1574595.cif |
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Users of the data should acknowledge the original authors of the
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