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Information card for entry 1551887
Preview
| Coordinates | 1551887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H74 Br4 N4 O11 |
|---|---|
| Calculated formula | C72 H74 Br4 N4 O11 |
| Title of publication | Ring-through-ring molecular shuttling in a saturated [3]rotaxane |
| Authors of publication | Kelong Zhu; Giorgio Baggi; Stephen J. Loeb |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 625 - 630 |
| a | 31.466 ± 0.002 Å |
| b | 18.3593 ± 0.0012 Å |
| c | 29.875 ± 0.002 Å |
| α | 90° |
| β | 126.405 ± 0.0019° |
| γ | 90° |
| Cell volume | 13890.4 ± 1.6 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 | 0.2035 |
| Residual factor for significantly intense reflections | 0.1067 |
| Weighted residual factors for significantly intense reflections | 0.2366 |
| Weighted residual factors for all reflections included in the refinement | 0.2919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216529 (current) | 2019-06-25 | cif/ Adding structures of 1551887 via cif-deposit CGI script. |
1551887.cif |
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Users of the data should acknowledge the original authors of the
structural data.