Information card for entry 4134526

Structure parameters

• Formula: C90 H110 N26 O22.33 P1.33
• Calculated formula: C90 H110 N26 O22.3333 P1.33333
• Title of publication: Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A₄L₆ Tetrahedral Anion Cages.
• Authors of publication: Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6304 - 6311
• a: 42.271 ± 0.006 Å
• b: 42.271 Å
• c: 42.271 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 75531 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2926
• Weighted residual factors for all reflections included in the refinement: 0.3237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No