Information card for entry 7100827

Structure parameters

• Common name: calix[4]arene dimethoxycarboxylic acid
• Formula: C64 H61.2 O22.6
• Calculated formula: C63.5 H51 O18.3
• Title of publication: Helical Aquatubes of calix[4]arene dicarboxylic acid
• Authors of publication: Adina N. Lazar; Nathalie Dupont; Alda Navaza; Antony W. Coleman
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 20.937 ± 0.002 Å
• b: 20.937 ± 0.002 Å
• c: 20.937 ± 0.002 Å
• α: 116.65 ± 0.02°
• β: 116.65 ± 0.02°
• γ: 116.65 ± 0.02°
• Cell volume: 4265 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :R
• Hall space group symbol: P 3*
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No