Information card for entry 4517535

Structure parameters

• Formula: C16 H6 F2 N4 O
• Calculated formula: C16 H6 F2 N4 O
• Title of publication: Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization
• Authors of publication: Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 4.495 ± 0.0006 Å
• b: 13.8963 ± 0.0016 Å
• c: 19.758 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No