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Information card for entry 7129295
Preview
| Coordinates | 7129295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C266 H366 Cl8 F12 N26 O36 P2 |
|---|---|
| Calculated formula | C266 H366 Cl8 F12 N26 O36 P2 |
| Title of publication | Threading of three rings on two stations: a convergent approach to [4]rotaxane |
| Authors of publication | Zhou, Yidan; Wu, Jinyang; Liu, Zejiang; Xu, Weitao; Liu, Menglong; Jia, Along; Liu, Yuchen; Xiao, Xin; Li, Xiaowei; Yuan, Lihua |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 18.4426 ± 0.0007 Å |
| b | 19.7321 ± 0.0007 Å |
| c | 20.3347 ± 0.0009 Å |
| α | 91.639 ± 0.003° |
| β | 93.853 ± 0.003° |
| γ | 114.363 ± 0.004° |
| Cell volume | 6712.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.1928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270860 (current) | 2021-11-25 | cif/ Adding structures of 7129295 via cif-deposit CGI script. |
7129295.cif |
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