Information card for entry 4129153

Structure parameters

• Formula: C72 H63 F36 N9 P6
• Calculated formula: C72 H63 F36 N9 P6
• Title of publication: Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.
• Authors of publication: Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 70.029 ± 0.005 Å
• b: 70.029 ± 0.005 Å
• c: 9.1062 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 38674 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2232
• Residual factor for significantly intense reflections: 0.1402
• Weighted residual factors for significantly intense reflections: 0.3522
• Weighted residual factors for all reflections included in the refinement: 0.413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No