Information card for entry 7159127

Structure parameters

• Formula: C20 H8 F12 N4
• Calculated formula: C20 H8 F12 N4
• Title of publication: Azo-tagged C4N4 fluorophores: unusual overcrowded structures and their application to fluorescent imaging.
• Authors of publication: Kohei, Miki; Takizawa, Naoki; Tsutsumi, Ryosuke; Xu, Wei; Kumagai, Naoya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2889 - 2893
• a: 7.93703 ± 0.00015 Å
• b: 15.3896 ± 0.0003 Å
• c: 16.2323 ± 0.0003 Å
• α: 90°
• β: 101.588 ± 0.007°
• γ: 90°
• Cell volume: 1942.32 ± 0.08 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No