Information card for entry 1506128

Structure parameters

• Formula: C62 H56 F2 N2 O4
• Calculated formula: C62 H56 F2 N2 O4
• Title of publication: Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.
• Authors of publication: Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3765 - 3768
• a: 17.04 ± 0.002 Å
• b: 11.32 ± 0.001 Å
• c: 25.137 ± 0.002 Å
• α: 90°
• β: 97.135 ± 0.006°
• γ: 90°
• Cell volume: 4811.2 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No