Information card for entry 4132091

Structure parameters

• Formula: C676.5 H419.5 K7 N157.25 O164 P8
• Calculated formula: C676.615 H419.537 K7 N157.436 O164 P8
• Title of publication: Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.
• Authors of publication: Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 5248 - 5256
• a: 43.47 ± 0.003 Å
• b: 39.035 ± 0.003 Å
• c: 58.398 ± 0.005 Å
• α: 90°
• β: 98.34 ± 0.003°
• γ: 90°
• Cell volume: 98045 ± 13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 152.99 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2138
• Residual factor for significantly intense reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.3616
• Weighted residual factors for all reflections included in the refinement: 0.4381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No