Information card for entry 4134735

Structure parameters

• Formula: C65 H49.5 F24 N4.5 P4
• Calculated formula: C65 H49.5 F24 N4.5 P4
• Title of publication: Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane.
• Authors of publication: Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 17
• Pages of publication: 7956 - 7967
• a: 11.9331 ± 0.0007 Å
• b: 14.1803 ± 0.0009 Å
• c: 42.533 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7197.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.2299
• Residual factor for significantly intense reflections: 0.1971
• Weighted residual factors for significantly intense reflections: 0.4554
• Weighted residual factors for all reflections included in the refinement: 0.4836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.717
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No