Information card for entry 7150748

Structure parameters

• Formula: C80 H105 F24 N4 O19.5 P4 S4
• Calculated formula: C74 H78 F24 N4 O16 P4 S4
• Title of publication: Thermodynamic forecasting of mechanically interlocked switches
• Authors of publication: Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4391 - 4405
• a: 14.216 ± 0.004 Å
• b: 54.971 ± 0.012 Å
• c: 13.678 ± 0.004 Å
• α: 90°
• β: 109.254 ± 0.007°
• γ: 90°
• Cell volume: 10091 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.2291
• Residual factor for significantly intense reflections: 0.1969
• Weighted residual factors for significantly intense reflections: 0.5064
• Weighted residual factors for all reflections included in the refinement: 0.5261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.874
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No