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Information card for entry 7123175
Preview
| Coordinates | 7123175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C125 H140 Br20 I2 N2 O20 |
|---|---|
| Calculated formula | C125 H140 Br20 I2 N2 O20 |
| Title of publication | Construction of [2]pseudorotaxane and [3]pseudorotaxane based on perbromoethylated pillar[5]arene/pyridinium iodide ion-pair recognition |
| Authors of publication | Shao, Li; Hua, Bin; Liu, Jiyong; Huang, Feihe |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 12.5317 ± 0.0009 Å |
| b | 15.7091 ± 0.0012 Å |
| c | 18.2229 ± 0.0015 Å |
| α | 81.626 ± 0.002° |
| β | 80.866 ± 0.002° |
| γ | 75.6 ± 0.002° |
| Cell volume | 3409.4 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0894 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.2075 |
| Weighted residual factors for all reflections included in the refinement | 0.2208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214276 (current) | 2019-03-22 | cif/ Adding structures of 7123175, 7123176 via cif-deposit CGI script. |
7123175.cif |
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