Information card for entry 4129755

Structure parameters

• Formula: C50 H45 F24 N7 P4 Se2
• Calculated formula: C50 H45 F24 N7 P4 Se2
• Title of publication: Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.
• Authors of publication: Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15299 - 15307
• a: 10.1807 ± 0.0002 Å
• b: 11.1872 ± 0.0003 Å
• c: 14.0332 ± 0.0004 Å
• α: 101.093 ± 0.002°
• β: 92.183 ± 0.002°
• γ: 102.516 ± 0.002°
• Cell volume: 1525.84 ± 0.07 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No