Information card for entry 4118263

Structure parameters

• Formula: C186 H215 F72 N37 O16 P12
• Calculated formula: C186 H215 F72 N37 O16 P12
• Title of publication: Controlling Switching in Bistable [2]Catenanes by Combining Donor-Acceptor and Radical-Radical Interactions
• Authors of publication: Zhixue Zhu; Albert C. Fahrenbach; Hao Li; Jonathan C. Barnes; Zhichang Liu; Scott M. Dyar; Huacheng Zhang; Juying Lei; Raanan Carmieli; Amy A. Sarjeant; Charlotte L. Stern; Michael R. Wasielewski; J. Fraser Stoddart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11709 - 11720
• a: 18.8272 ± 0.0004 Å
• b: 20.3121 ± 0.0004 Å
• c: 56.4665 ± 0.001 Å
• α: 90°
• β: 95.294 ± 0.001°
• γ: 90°
• Cell volume: 21501.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.4255
• Weighted residual factors for all reflections included in the refinement: 0.4325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.982
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No