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Information card for entry 4036980
Preview
| Coordinates | 4036980.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H60 Cl6 N10 O10 |
|---|---|
| Calculated formula | C73 H60 Cl6 N10 O10 |
| Title of publication | A Shape-Persistent Cryptand for Capturing Polycyclic Aromatic Hydrocarbons. |
| Authors of publication | Zhang, Rui-Feng; Hu, Wen-Jing; Liu, Yahu A.; Zhao, Xiao-Li; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 13 |
| Pages of publication | 5649 - 5654 |
| a | 14.259 ± 0.003 Å |
| b | 18.033 ± 0.003 Å |
| c | 20.014 ± 0.004 Å |
| α | 65.263 ± 0.003° |
| β | 87.57 ± 0.003° |
| γ | 73.367 ± 0.003° |
| Cell volume | 4460.7 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.2215 |
| Residual factor for significantly intense reflections | 0.1377 |
| Weighted residual factors for significantly intense reflections | 0.3548 |
| Weighted residual factors for all reflections included in the refinement | 0.405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235508 (current) | 2019-11-23 | cif/ Adding structures of 4036980 via cif-deposit CGI script. |
4036980.cif |
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Users of the data should acknowledge the original authors of the
structural data.