Information card for entry 4001540

Structure parameters

• Formula: C34 H8 F18 S
• Calculated formula: C34 H8 F18 S
• SMILES: s1c(c2c(F)c(F)c(c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)ccc1c1c(F)c(F)c(c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccccc1
• Title of publication: Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials
• Authors of publication: Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3261
• a: 7.513 ± 0.003 Å
• b: 7.585 ± 0.003 Å
• c: 28.128 ± 0.01 Å
• α: 92.498 ± 0.005°
• β: 92.18 ± 0.006°
• γ: 116.885 ± 0.005°
• Cell volume: 1425.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1448
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No