Information card for entry 7053856

Structure parameters

• Formula: C46 H52 Cl2 O10
• Calculated formula: C46 H52 Cl2 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: 14.928 ± 0.004 Å
• b: 14.928 ± 0.004 Å
• c: 39.286 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8755 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No