Information card for entry 4104872

Structure parameters

• Formula: C79.5 H93 F24 N12.5 O8 P4 S4
• Calculated formula: C79.5 H93 F24 N12.5 O8 P4 S4
• Title of publication: A Push-Button Molecular Switch
• Authors of publication: Jason M. Spruell; Walter F. Paxton; John-Carl Olsen; Diego Benítez; Ekaterina Tkatchouk; Charlotte L. Stern; Ali Trabolsi; Douglas C. Friedman; William A. Goddard; J. Fraser Stoddart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11571 - 11580
• a: 14.0138 ± 0.0004 Å
• b: 14.0734 ± 0.0002 Å
• c: 25.1493 ± 0.0005 Å
• α: 98.207 ± 0.001°
• β: 105.1 ± 0.001°
• γ: 91.949 ± 0.001°
• Cell volume: 4726.52 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2589
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No