Information card for entry 7053855

Structure parameters

• Formula: C47 H53 N O10
• Calculated formula: C47 H53 N O10
• Title of publication: Selective recognition of “solvent” molecules in solution and the solid state by 1,4-dimethoxypillar[5]arene driven by attractive forces
• Authors of publication: Tan, Li-Li; Zhang, Yumo; Li, Bao; Wang, Kai; Zhang, Sean Xiao-An; Tao, Yanchun; Yang, Ying-Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 845
• a: 14.976 ± 0.002 Å
• b: 14.976 ± 0.002 Å
• c: 39.297 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8814 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No