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Information card for entry 7123481
Preview
| Coordinates | 7123481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H68 Cl2 N6 O6 |
|---|---|
| Calculated formula | C69 H68 Cl2 N6 O6 |
| Title of publication | Homo and heteroassembly of amide-based [2]rotaxanes using α,α’-dimethyl-p-xylylenediamines |
| Authors of publication | Lopez-Leonardo, Carmen; Martinez-Cuezva, Alberto; Bautista, Delia; Alajarin, Mateo; Berna, Jose |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 50.723 ± 0.0019 Å |
| b | 11.0306 ± 0.0004 Å |
| c | 22.3781 ± 0.0009 Å |
| α | 90° |
| β | 105.156 ± 0.002° |
| γ | 90° |
| Cell volume | 12085.2 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0938 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215224 (current) | 2019-05-17 | cif/ Adding structures of 7123479, 7123480, 7123481 via cif-deposit CGI script. |
7123481.cif |
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Users of the data should acknowledge the original authors of the
structural data.