Information card for entry 4123305

Structure parameters

• Formula: C96 H92 F36 N12 P6
• Calculated formula: C96 H92 F35.994 N12 P5.999
• Title of publication: Folding of oligoviologens induced by radical-radical interactions.
• Authors of publication: Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; Goddard, 3rd, William A; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 876 - 885
• a: 25.5439 ± 0.0008 Å
• b: 26.3802 ± 0.0008 Å
• c: 38.325 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25825.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.3022
• Weighted residual factors for all reflections included in the refinement: 0.3286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No