Information card for entry 1550417

Structure parameters

• Formula: C142 H157 N32 O20 P2
• Calculated formula: C142 H168.112 N32 O20 P2
• Title of publication: Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence
• Authors of publication: Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 15.948 ± 0.002 Å
• b: 16.487 ± 0.002 Å
• c: 16.568 ± 0.002 Å
• α: 98.9391 ± 0.0019°
• β: 95.3315 ± 0.0018°
• γ: 117.154 ± 0.0018°
• Cell volume: 3762 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.1033
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No