Information card for entry 4134732

Structure parameters

• Formula: C82 H64 F24 N6 P4
• Calculated formula: C82 H64 F24 N6 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: 7.2668 ± 0.0016 Å
• b: 12.68 ± 0.003 Å
• c: 20.209 ± 0.007 Å
• α: 80.52 ± 0.03°
• β: 84.99 ± 0.02°
• γ: 87.23 ± 0.02°
• Cell volume: 1828.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2287
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.3218
• Weighted residual factors for all reflections included in the refinement: 0.3735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No