Information card for entry 1576948

Structure parameters

• Formula: C141.29 H137.29 Cl28.86 N29 O4
• Calculated formula: C136.788 H132.788 Cl15.364 N29 O4
• Title of publication: Neutral anion-detecting organic cages based on anion-π interactions.
• Authors of publication: Lu, Yuyang; Zhou, Ping; Tang, Hua; Wu, Yating; Kuang, Yueyan; Cao, Ze; Liu, Jiyong; Wu, Guangcheng; Chen, Hongliang; Li, Hao
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 5993 - 6004
• a: 17.6131 ± 0.001 Å
• b: 22.0166 ± 0.0014 Å
• c: 22.7591 ± 0.0014 Å
• α: 102.389 ± 0.003°
• β: 93.067 ± 0.003°
• γ: 94.661 ± 0.002°
• Cell volume: 8568.7 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.122
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No