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Information card for entry 1553882
Preview
| Coordinates | 1553882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H176 Cl6 N52 O50 Sr2 |
|---|---|
| Calculated formula | C108 H124 Cl4 N52 O40 Sr2 |
| Title of publication | Multiple noncovalent interaction constructed polymeric supramolecular crystals: recognition of butyl viologen by para-dicyclohexanocucurbit[6]uril and α,α′,δ,δ′-tetramethylcucurbit[6]uril |
| Authors of publication | Xiao, Zhi-You; Lin, Rui-Lian; Tao, Zhu; Liu, Qing-Yun; Liu, Jing-Xin; Xiao, Xin |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 12 |
| Pages of publication | 2422 |
| a | 12.8381 ± 0.0007 Å |
| b | 15.6916 ± 0.0009 Å |
| c | 22.2878 ± 0.0013 Å |
| α | 92.995 ± 0.002° |
| β | 98.521 ± 0.002° |
| γ | 106.862 ± 0.002° |
| Cell volume | 4227.9 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1789 |
| Weighted residual factors for all reflections included in the refinement | 0.1905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236118 (current) | 2019-11-24 | cif/ Adding structures of 1553881, 1553882 via cif-deposit CGI script. |
1553882.cif |
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Users of the data should acknowledge the original authors of the
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