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Information card for entry 7124721
Preview
| Coordinates | 7124721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H32 N4 O2 |
|---|---|
| Calculated formula | C38 H32 N4 O2 |
| Title of publication | Endohedral dynamics of push-pull rotor-functionalized cages. |
| Authors of publication | Krick, Marcel; Holstein, Julian; Würtele, Christian; Clever, Guido H. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 68 |
| Pages of publication | 10411 - 10414 |
| a | 11.4777 ± 0.0005 Å |
| b | 15.9325 ± 0.0007 Å |
| c | 17.0968 ± 0.0008 Å |
| α | 90° |
| β | 103.233 ± 0.002° |
| γ | 90° |
| Cell volume | 3043.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234166 (current) | 2019-11-23 | cif/ Adding structures of 7124721, 7124722 via cif-deposit CGI script. |
7124721.cif |
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Users of the data should acknowledge the original authors of the
structural data.