Information card for entry 4023780

Structure parameters

• Formula: C21.32 H5.32 F8 S2
• Calculated formula: C21.32 H5.32 F8 S2
• Title of publication: 9,10-Disubstituted Octafluoroanthracene Derivatives via Palladium-Catalyzed Cross-Coupling
• Authors of publication: John F. Tannaci; Masahiro Noji; Jennifer L. McBee; T. Don Tilley
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7895 - 7900
• a: 6.355 ± 0.006 Å
• b: 12.399 ± 0.011 Å
• c: 11.714 ± 0.01 Å
• α: 90°
• β: 101.044 ± 0.013°
• γ: 90°
• Cell volume: 905.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No