Information card for entry 4306416

Structure parameters

• Common name: [AQNHC(CH=CH2)OH]ClO4.CH2Cl2-(8)
• Formula: C26 H30 Cl3 N O11
• Calculated formula: C26 H30 Cl3 N O11
• Title of publication: Large Amplitude, Proton- and Cation-Activated Latch-Type Mechanical Switches: O-Protonated Amides Stabilized by Intramolecular, Low-Barrier Hydrogen Bonds within Macrocycles
• Authors of publication: Mariappan Kadarkaraisamy; Gerald Caple; Andrea R. Gorden; Marie A. Squire; Andrew G. Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11644 - 11655
• a: 10.0567 ± 0.0004 Å
• b: 11.4232 ± 0.0004 Å
• c: 12.0954 ± 0.0005 Å
• α: 87.03°
• β: 84.92°
• γ: 87.69°
• Cell volume: 1381.31 ± 0.09 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No