Information card for entry 1515507

Structure parameters

• Formula: C52 H60 F24 N8 O4 P4
• Calculated formula: C52 H60 F24 N8 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-].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.n12cc[n+](Cc3ccc(Cn4cc[n+](c4)c4ccc(n5cc[n+](Cc6ccc(C[n+]7ccn(c8ccc2cc8)c7)cc6)c5)cc4)cc3)c1
• 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: 9.5897 ± 0.0001 Å
• b: 10.4314 ± 0.0002 Å
• c: 32.0723 ± 0.0005 Å
• α: 90°
• β: 97.2039 ± 0.0007°
• γ: 90°
• Cell volume: 3182.99 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No