Information card for entry 4129151

Structure parameters

• Formula: C68 H57 F36 N7 P6
• Calculated formula: C68 H57 F36 N7 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: 33.639 ± 0.003 Å
• b: 13.6292 ± 0.0013 Å
• c: 40.821 ± 0.004 Å
• α: 90°
• β: 94.175 ± 0.006°
• γ: 90°
• Cell volume: 18666 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.194
• Residual factor for significantly intense reflections: 0.1795
• Weighted residual factors for significantly intense reflections: 0.4517
• Weighted residual factors for all reflections included in the refinement: 0.4667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.771
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No