Information card for entry 1515509

Structure parameters

• Formula: C66 H64 F24 N10 O4 P4
• Calculated formula: C66 H64 F24 N10 O4 P4
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.CC(=O)C.C1n2cc[n+](c2)c2ccc(cc2)n2cc[n+](c2)Cc2ccc(cc2)Cn2cc[n+](c2)c2ccc(cc2)n2cc[n+](c2)Cc2ccc1cc2.COc1ccc2c(c1)c1c([nH]2)c2c(cc1)c1c([nH]2)ccc(c1)OC
• Title of publication: A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly
• Authors of publication: Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 494
• a: 17.5254 ± 0.0002 Å
• b: 12.7345 ± 0.0001 Å
• c: 30.6082 ± 0.0004 Å
• α: 90°
• β: 90.6673 ± 0.0006°
• γ: 90°
• Cell volume: 6830.59 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1591
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8531
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No