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Information card for entry 7122371
Preview
| Coordinates | 7122371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C97 H114 N10 O18 |
|---|---|
| Calculated formula | C97 H114 N10 O18 |
| Title of publication | Construction of [2]rotaxane-based supramolecular polymers driven by wheel-stopper ππ interactions. |
| Authors of publication | Zeng, Xianqiang; Deng, Hongmei; Jia, Xueshun; Cui, Lei; Li, Jian; Li, Chunju; Fang, Jianhui |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 82 |
| Pages of publication | 11634 - 11637 |
| a | 15.635 ± 0.016 Å |
| b | 15.853 ± 0.016 Å |
| c | 20.76 ± 0.02 Å |
| α | 76.822 ± 0.014° |
| β | 87.31 ± 0.014° |
| γ | 85.63 ± 0.014° |
| Cell volume | 4993 ± 9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1585 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1737 |
| Weighted residual factors for all reflections included in the refinement | 0.2077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122371.cif |
| 228619 | 2019-11-17 | cif/ Updating files of 7122371 Original log message: Adding full bibliography for 7122371.cif. |
7122371.cif |
| 211143 | 2018-09-25 | cif/ Adding structures of 7122371 via cif-deposit CGI script. |
7122371.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.