Information card for entry 1513274

Structure parameters

• Formula: C26 H16 F2 N2
• Calculated formula: C26 H16 F2 N2
• SMILES: Fc1ccc(C2=Nc3c(cccc3)C(=Nc3c2cccc3)c2ccc(F)cc2)cc1
• Title of publication: Synthesis of Diazocine-Containing Poly(arylene ether sulfone)s for Tailored Mechanical and Electrochemical Performance
• Authors of publication: Suga, Takeo; Wi, Sungsool; Long, Timothy E.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1526
• a: 18.09 ± 0.002 Å
• b: 20.368 ± 0.002 Å
• c: 16.6509 ± 0.0015 Å
• α: 90°
• β: 104.245 ± 0.011°
• γ: 90°
• Cell volume: 5946.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No