Information card for entry 4028723

Structure parameters

• Formula: C40 H48 F4 N4 Si2
• Calculated formula: C40 H48 F4 N4 Si2
• Title of publication: Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution
• Authors of publication: Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10832 - 10839
• a: 7.5628 ± 0.0005 Å
• b: 7.661 ± 0.0006 Å
• c: 17.1065 ± 0.0013 Å
• α: 89.004 ± 0.002°
• β: 78.407 ± 0.002°
• γ: 85.986 ± 0.002°
• Cell volume: 968.52 ± 0.12 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No