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Information card for entry 4135060
Preview
| Coordinates | 4135060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H168 N12 O3 S12 |
|---|---|
| Calculated formula | C180 H168 N12 O3 S12 |
| Title of publication | Controlled Hierarchical Self-Assembly of Catenated Cages. |
| Authors of publication | Sun, Zhongwei; Li, Pan; Xu, Shijun; Li, Zi-Ying; Nomura, Yoshiaki; Li, Zimu; Liu, Xiaoyun; Zhang, Shaodong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 70.5814 ± 0.0019 Å |
| b | 15.2442 ± 0.0004 Å |
| c | 41.8633 ± 0.0011 Å |
| α | 90° |
| β | 118.04 ± 0.001° |
| γ | 90° |
| Cell volume | 39755.9 ± 1.9 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1643 |
| Residual factor for significantly intense reflections | 0.1069 |
| Weighted residual factors for significantly intense reflections | 0.3125 |
| Weighted residual factors for all reflections included in the refinement | 0.3594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252650 (current) | 2020-06-05 | cif/ Adding structures of 4135060 via cif-deposit CGI script. |
4135060.cif |
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Users of the data should acknowledge the original authors of the
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