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Information card for entry 1562690
Preview
| Coordinates | 1562690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C233 H147 Br12 N24 O49 |
|---|---|
| Calculated formula | C233 H147 Br12 N24 O49 |
| Title of publication | A water-soluble naphthalenediimide-containing hexacationic cage. |
| Authors of publication | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 49 |
| Pages of publication | 6074 - 6077 |
| a | 21.62 ± 0.003 Å |
| b | 25.189 ± 0.003 Å |
| c | 26.682 ± 0.003 Å |
| α | 99.495 ± 0.009° |
| β | 108.239 ± 0.007° |
| γ | 105.86 ± 0.007° |
| Cell volume | 12767 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 | 0.1836 |
| Residual factor for significantly intense reflections | 0.1431 |
| Weighted residual factors for significantly intense reflections | 0.3051 |
| Weighted residual factors for all reflections included in the refinement | 0.3198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267039 (current) | 2021-07-05 | cif/ Updating files of 1562686, 1562687, 1562688, 1562689, 1562690, 1562691 Original log message: Adding full bibliography for 1562686--1562691.cif. |
1562690.cif |
| 265340 | 2021-05-20 | cif/ Adding structures of 1562686, 1562687, 1562688, 1562689, 1562690, 1562691 via cif-deposit CGI script. |
1562690.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.