Information card for entry 2100980

Structure parameters

• Formula: C42 H60 N12 O12 S2
• Calculated formula: C42 H60 N12 O12 S2
• 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: 16.304 ± 0.006 Å
• b: 20.321 ± 0.008 Å
• c: 15.939 ± 0.006 Å
• α: 90°
• β: 102.25 ± 0.02°
• γ: 90°
• Cell volume: 5161 ± 3 ų
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No