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Information card for entry 1562692
Preview
| Coordinates | 1562692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H108 O24 |
|---|---|
| Calculated formula | C126 H108 O24 |
| Title of publication | Playing with the Weakest Supramolecular Interactions in a 3D Crystalline Hexakis[60]Fullerene Induces Control over Hydrogenation Selectivity |
| Authors of publication | Fernandez-Bartolomé, Estefania; Gamonal, Arturo; Santos, Jose; Khodabakhshi, Saeed; Rodriguez, Eider; Sañudo, E. Carolina; Martín, Nazario; Sanchez Costa, Jose |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 15.46 Å |
| b | 17.12 Å |
| c | 20.31 Å |
| α | 76.74° |
| β | 69.11° |
| γ | 72.2° |
| Cell volume | 4737.81 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.2197 |
| Weighted residual factors for all reflections included in the refinement | 0.2243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.72931 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265343 (current) | 2021-05-20 | cif/ Adding structures of 1562692, 1562693 via cif-deposit CGI script. |
1562692.cif |
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Users of the data should acknowledge the original authors of the
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