Information card for entry 7108906

Structure parameters

• Formula: C68 H105 N9 O10 S
• Calculated formula: C68 H105 N9 O10 S
• Title of publication: Squaramide-based tripodal receptors for selective recognition of sulfate anion
• Authors of publication: Can Jin; Man Zhang; Lin Wu; Yangfan Guan; Yi Pan; Juli Jiang; Chen Lin; Leyong Wang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 2025 - 2027
• a: 12.9919 ± 0.0011 Å
• b: 14.4679 ± 0.0012 Å
• c: 19.329 ± 0.0013 Å
• α: 94.859 ± 0.001°
• β: 96.631 ± 0.002°
• γ: 94.257 ± 0.001°
• Cell volume: 3582.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No