Information card for entry 7060544

Structure parameters

• Formula: C36 H4 F20 N2 O2
• Calculated formula: C36 H4 F20 N2 O2
• Title of publication: Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives
• Authors of publication: Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8647 - 8653
• a: 6.537 ± 0.004 Å
• b: 10.866 ± 0.003 Å
• c: 11.701 ± 0.009 Å
• α: 71.27 ± 0.06°
• β: 89.53 ± 0.06°
• γ: 78.96 ± 0.04°
• Cell volume: 771.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No