Information card for entry 1515506

Structure parameters

• Formula: C40 H48 F24 N8 O6 P4
• Calculated formula: C40 H48 F24 N8 O6 P4
• 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: 8.2914 ± 0.0002 Å
• b: 19.8515 ± 0.0004 Å
• c: 16.9016 ± 0.0004 Å
• α: 90°
• β: 97.5218 ± 0.001°
• γ: 90°
• Cell volume: 2758.01 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections: 0.2086
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No