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Information card for entry 7122978
Preview
| Coordinates | 7122978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H85 O10.5 |
|---|---|
| Calculated formula | C64 H64 |
| Title of publication | Heating Activated Isomeric All-hydrocarbon Molecular Receptors for Fullerene Separation |
| Authors of publication | Yang, Yu-Dong; Gong, Han-Yuan |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.224 ± 0.003 Å |
| b | 14.975 ± 0.003 Å |
| c | 18.393 ± 0.004 Å |
| α | 68.87 ± 0.03° |
| β | 72.8 ± 0.03° |
| γ | 64.85 ± 0.03° |
| Cell volume | 3031.3 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.174 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213627 (current) | 2019-02-14 | cif/ Adding structures of 7122974, 7122975, 7122976, 7122977, 7122978, 7122979, 7122980, 7122981 via cif-deposit CGI script. |
7122978.cif |
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Users of the data should acknowledge the original authors of the
structural data.