Information card for entry 7129274

Structure parameters

• Formula: C117 H131 Cl2 F54 N34 P9
• Calculated formula: C89 H89 Cl2 F54 N20 P9
• 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: 15.8416 ± 0.0016 Å
• b: 16.8382 ± 0.0017 Å
• c: 27.118 ± 0.003 Å
• α: 95.115 ± 0.004°
• β: 99.575 ± 0.003°
• γ: 94.411 ± 0.004°
• Cell volume: 7073.3 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No