Information card for entry 1515504

Structure parameters

• Formula: C44 H42 F24 N10 P4
• Calculated formula: C44 H42 F24 N10 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: 9.8471 ± 0.0002 Å
• b: 11.4921 ± 0.0002 Å
• c: 12.2245 ± 0.0002 Å
• α: 68.0681 ± 0.001°
• β: 89.3833 ± 0.0009°
• γ: 85.0539 ± 0.0008°
• Cell volume: 1278.13 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No