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Information card for entry 7108820
Preview
| Coordinates | 7108820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H74 Br4 Cl4 O10 |
|---|---|
| Calculated formula | C59 H74 Br4 Cl4 O10 |
| Title of publication | Two 2 : 3 copillar[5]arene constitutional isomers: syntheses, crystal structures and host-guest complexation of their derivatives with dicarboxylic acid sodium salts in water |
| Authors of publication | Peifa Wei; Xuzhou Yan; Jinying Li; Yingjie Ma; Feihe Huang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 11 |
| Pages of publication | 1070 - 1072 |
| a | 26.1413 ± 0.0009 Å |
| b | 11.8492 ± 0.0006 Å |
| c | 21.3437 ± 0.0009 Å |
| α | 90° |
| β | 109.625 ± 0.004° |
| γ | 90° |
| Cell volume | 6227.2 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1051 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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