Information card for entry 2003679

Structure parameters

• Formula: C16 H36 F12 N6 O13 S4
• Calculated formula: C16 H32 F12 N6 O13 S4
• Title of publication: (H~4~-Hexaaza-18-crown-6)^4+^.4CF~3~SO~3~^{-^} and its Hydrated Form
• Authors of publication: Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1407 - 1411
• a: 8.984 ± 0.005 Å
• b: 31.147 ± 0.012 Å
• c: 13.357 ± 0.003 Å
• α: 90°
• β: 106.98 ± 0.06°
• γ: 90°
• Cell volume: 3575 ± 3 ų
• Cell temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for significantly intense reflections: 4.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No