Information card for entry 4027799

Structure parameters

• Formula: C92 H110 N30 O28 P4 Zn4
• Calculated formula: C92 H110 N30 O28 P4 Zn4
• Title of publication: Introducing Ligand-Based Hydrogen Bond Donors to a Receptor: Both Selectivity and Binding Affinity for Anion Recognition in Water Can Be Improved
• Authors of publication: Feihu Huang; Chen Cheng; Guoqiang Feng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 11405 - 11408
• a: 12.6347 ± 0.0019 Å
• b: 13.4144 ± 0.0019 Å
• c: 18.718 ± 0.003 Å
• α: 92.426 ± 0.003°
• β: 103.155 ± 0.002°
• γ: 104.145 ± 0.003°
• Cell volume: 2979.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No