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Information card for entry 1551888
Preview
| Coordinates | 1551888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C248 H248 B2 F8 N4 O16 |
|---|---|
| Calculated formula | C248 H248 B2 F8 N4 O16 |
| 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 | 13.1755 ± 0.0003 Å |
| b | 18.6165 ± 0.0005 Å |
| c | 21.6086 ± 0.0006 Å |
| α | 86.0293 ± 0.0018° |
| β | 84.4233 ± 0.0016° |
| γ | 85.0168 ± 0.0017° |
| Cell volume | 5245.3 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.266 |
| Residual factor for significantly intense reflections | 0.1452 |
| Weighted residual factors for significantly intense reflections | 0.3524 |
| Weighted residual factors for all reflections included in the refinement | 0.4188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216530 (current) | 2019-06-25 | cif/ Adding structures of 1551888 via cif-deposit CGI script. |
1551888.cif |
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Users of the data should acknowledge the original authors of the
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