Information card for entry 2100982

Structure parameters

• 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 ų
• 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