Information card for entry 7150749

Structure parameters

• Formula: C67 H76 F24 N10 O6 P4
• Calculated formula: C67 H76 F24 N10 O6 P4
• 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: 13.8934 ± 0.0009 Å
• b: 23.2237 ± 0.0016 Å
• c: 13.0531 ± 0.0009 Å
• α: 90°
• β: 116.262 ± 0.001°
• γ: 90°
• Cell volume: 3776.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1083
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No