Information card for entry 4129752

Structure parameters

• Formula: C202 H205 F72 N23 O20 P12 Se4
• Calculated formula: C202 H205 F72 N23 O20 P12 Se4
• 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: 16.2898 ± 0.0008 Å
• b: 24.1007 ± 0.0013 Å
• c: 32.3023 ± 0.0017 Å
• α: 93.428 ± 0.003°
• β: 102.052 ± 0.003°
• γ: 107.203 ± 0.002°
• Cell volume: 11746.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.07 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: 0.1202
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No