Information card for entry 4134527

Structure parameters

• Formula: C86 H108 N24 O22.33 P1.33
• Calculated formula: C86 H87.9999 N24 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: 32.2178 ± 0.0019 Å
• b: 32.2178 ± 0.0019 Å
• c: 32.2178 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33442 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.315
• Weighted residual factors for all reflections included in the refinement: 0.3444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No