Information card for entry 7150283

Structure parameters

• Formula: C46 H54 F24 N10 P4
• Calculated formula: C46 H54 F24 N10 P4
• SMILES: c1n2c3c([n+]1CCCn1c[n+](CCCCn4c[n+](CCCn5c[n+](CCCC2)c2c5cccc2)c2c4cccc2)c2c1cccc2)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Tetrakis(imidazolium) macrocyclic receptors for anion binding.
• Authors of publication: Wong, Wallace W. H.; Vickers, Matthew S.; Cowley, Andrew R.; Paul, Rowena L.; Beer, Paul D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 23
• Pages of publication: 4201 - 4208
• a: 9.6741 ± 0.0002 Å
• b: 12.6292 ± 0.0002 Å
• c: 13.1081 ± 0.0002 Å
• α: 65.7093 ± 0.001°
• β: 71.7542 ± 0.0009°
• γ: 83.9297 ± 0.0007°
• Cell volume: 1385.83 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1081
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No