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Information card for entry 2023487
Preview
| Coordinates | 2023487.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Perethoxy-prism[6]arene 1,6-dichlorohexane disolvate |
|---|---|
| Formula | C102 H120 Cl4 O12 |
| Calculated formula | C102 H120 Cl4 O12 |
| Title of publication | Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes |
| Authors of publication | Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 38.722 ± 0.003 Å |
| b | 10.4622 ± 0.0007 Å |
| c | 23.891 ± 0.0016 Å |
| α | 90° |
| β | 106.978 ± 0.008° |
| γ | 90° |
| Cell volume | 9256.8 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1611 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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