Information card for entry 7129273

Structure parameters

• Formula: C93 H99 Cl27 N18
• Calculated formula: C84 H81 Cl9.002 N18
• Title of publication: Synthesis and Aqueous Anion Recognition of Imidazolium-Based Nonacationic Cup
• Authors of publication: Wang, Pinpin; Liu, Kai; Ma, Huanqing; Nian, Hao; Li, Yawen; Li, Qingfang; Cheng, Lin; Cao, Liping
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 16.3833 ± 0.0006 Å
• b: 20.8 ± 0.0008 Å
• c: 37.6802 ± 0.0015 Å
• α: 90°
• β: 95.615 ± 0.002°
• γ: 90°
• Cell volume: 12778.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.3759
• Weighted residual factors for all reflections included in the refinement: 0.3936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.686
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No