Information card for entry 1506598

Structure parameters

• Formula: C44 H50 F4 Si2
• Calculated formula: C44 H50 F4 Si2
• Title of publication: Synthesis and characterization of electron-deficient pentacenes.
• Authors of publication: Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3163 - 3166
• a: 7.5485 ± 0.0002 Å
• b: 7.7478 ± 0.0003 Å
• c: 16.8801 ± 0.0006 Å
• α: 89.4411 ± 0.0013°
• β: 78.6534 ± 0.0014°
• γ: 87.0802 ± 0.0012°
• Cell volume: 966.67 ± 0.06 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.622
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No