Information card for entry 4306410

Structure parameters

• Common name: [AQHNH(CH3)COH]ClO4-(3)
• Formula: C24 H28 Cl N O11
• Calculated formula: C24 H28 Cl N O11
• SMILES: c12cccc3C(=O)c4cccc(c4C(c13)[NH+]=C(C)O)OCCOCCOCCOCCO2.[O-]Cl(=O)(=O)=O
• 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: 8.9158 ± 0.0001 Å
• b: 11.8831 ± 0.0002 Å
• c: 11.937 ± 0.0002 Å
• α: 96.65 ± 0.001°
• β: 91.421 ± 0.001°
• γ: 107.366 ± 0.001°
• Cell volume: 1196.57 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No