Information card for entry 7110749

Structure parameters

• Common name: sulphonatocalix-4-arene:l-lysine complex
• Formula: C80 H139 N8 O57.5 S8
• Calculated formula: C80 H82 N8 O57.5 S8
• Title of publication: The first example of a substrate spanning the calix[4]arene bilayer: the solid state complex of p-sulfonatocalix[4]arene with l-lysine
• Authors of publication: Selkti, Mohamed; Tomas, Alain; Coleman, Anthony W.; Douteau-Guével, Nathalie; Nicolis, Ioannis; Villain, Françoise; de Rango, Colette
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 161
• a: 13.599 ± 0.004 Å
• b: 14.369 ± 0.002 Å
• c: 15.169 ± 0.003 Å
• α: 111.02 ± 0.01°
• β: 100.02 ± 0.02°
• γ: 99.02 ± 0.02°
• Cell volume: 2646 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No