Information card for entry 7132159

Structure parameters

• Formula: C64 H90 N21 O16 P
• Calculated formula: C64 H90 N21 O16 P
• Title of publication: pH-dependent phosphate separation using tripodal hexaurea receptor
• Authors of publication: Sun, Zhong-Yu; Chen, Si-Qi; Liang, Lin; Zhao, Wei; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 21.9758 ± 0.0014 Å
• b: 23.498 ± 0.0015 Å
• c: 14.4237 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7448.2 ± 0.8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No