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Information card for entry 2103735
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| Coordinates | 2103735.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | potassium [2.2]paracyclophane-4-sulfonate |
|---|---|
| Formula | C16 H19 K O5 S |
| Calculated formula | C16 H19 K O5 S |
| Title of publication | Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides |
| Authors of publication | De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 780 - 790 |
| a | 11.493 ± 0.003 Å |
| b | 7.685 ± 0.001 Å |
| c | 18.15 ± 0.003 Å |
| α | 90° |
| β | 91.49 ± 0.02° |
| γ | 90° |
| Cell volume | 1602.5 ± 0.5 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections | 1.362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.362 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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