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Information card for entry 2100982
Preview
| Coordinates | 2100982.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C38 H54 N10 O10 S2 |
|---|---|
| Calculated formula | C38 H54 N10 O10 S2 |
| SMILES | C1COCCOCCOCCOCCOCCO1.Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C.Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C.CC#N.CC#N |
| Title of publication | Stabilizing role of included solvent in ternary complexation: synthesis, structures and thermal analyses of three 18-crown-6/sulfonamide/acetonitrile inclusion compounds |
| Authors of publication | Caira, M. R.; Mohamed, R. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 4 |
| Pages of publication | 760 - 768 |
| a | 13.558 ± 0.003 Å |
| b | 14.57 ± 0.003 Å |
| c | 11.404 ± 0.001 Å |
| α | 90° |
| β | 95.38 ± 0.01° |
| γ | 90° |
| Cell volume | 2242.8 ± 0.7 Å3 |
| Number of distinct elements | 5 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.