Information card for entry 4125888

Structure parameters

• Formula: C88 H67 F24 N8 P4
• Calculated formula: C88 H67 F24 N8 P4
• Title of publication: Intramolecular Energy and Electron Transfer within a Diazaperopyrenium-Based Cyclophane.
• Authors of publication: Gong, Xirui; Young, Ryan M.; Hartlieb, Karel J.; Miller, Claire; Wu, Yilei; Xiao, Hai; Li, Peng; Hafezi, Nema; Zhou, Jiawang; Ma, Lin; Cheng, Tao; Goddard, 3rd, William A; Farha, Omar K.; Hupp, Joseph T.; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 11
• Pages of publication: 4107 - 4116
• a: 10.7635 ± 0.0006 Å
• b: 11.6514 ± 0.0006 Å
• c: 17.8407 ± 0.0009 Å
• α: 92.31 ± 0.002°
• β: 106.077 ± 0.002°
• γ: 102.044 ± 0.002°
• Cell volume: 2091.09 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.3593
• Weighted residual factors for all reflections included in the refinement: 0.3886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.776
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No