Information card for entry 1515505

Structure parameters

• Formula: C46 H48 F24 N8 O2 P4
• Calculated formula: C46 H48 F24 N8 O2 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.n12Cc3ccc(Cn4c[n+](cc4)c4ccc(n5c[n+](Cc6ccc(Cn7c[n+](cc7)c7ccc([n+](c1)cc2)cc7)cc6)cc5)cc4)cc3
• 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: 23.7695 ± 0.0004 Å
• b: 11.2232 ± 0.0002 Å
• c: 24.0588 ± 0.0005 Å
• α: 90°
• β: 114.59 ± 0.0009°
• γ: 90°
• Cell volume: 5836.11 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections: 0.2254
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9391
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No