Information card for entry 4126809

Structure parameters

• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: c1(cccc(C)n1)c1c2c(c(c3cccc(C)n3)c3c1cccc3)cccc2
• Title of publication: B-N Lewis Pair Functionalization of Anthracene: Structural Dynamics, Optoelectronic Properties, and O2 Sensitization.
• Authors of publication: Liu, Kanglei; Lalancette, Roger A.; Jäkle, Frieder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 19.246 ± 0.004 Å
• b: 9.4695 ± 0.0018 Å
• c: 11.785 ± 0.002 Å
• α: 90°
• β: 117.944 ± 0.004°
• γ: 90°
• Cell volume: 1897.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No