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Information card for entry 7124722
Preview
| Coordinates | 7124722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H32 D8 N4 O3 |
|---|---|
| Calculated formula | C46 H32 D8 N4 O3 |
| 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 | 9.7141 ± 0.0003 Å |
| b | 13.7175 ± 0.0004 Å |
| c | 13.8642 ± 0.0004 Å |
| α | 92.206 ± 0.002° |
| β | 97.198 ± 0.002° |
| γ | 98.744 ± 0.002° |
| Cell volume | 1808.46 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234166 (current) | 2019-11-23 | cif/ Adding structures of 7124721, 7124722 via cif-deposit CGI script. |
7124722.cif |
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Users of the data should acknowledge the original authors of the
structural data.