Information card for entry 7105908

Structure parameters

• Formula: C22 H16 F6 O2 S2
• Calculated formula: C22 H16 F6 O2 S2
• SMILES: COc1c(c2ccc(cc2)SC(F)(F)F)cc(c(c1)c1ccc(cc1)SC(F)(F)F)OC
• Title of publication: on/off Electrochemical switches based on quinone-bisketals
• Authors of publication: Noelia Fuentes; Luis Alvarez de Cienfuegos; Andres Parra; Duane Choquesillo-Lazarte; Juan Manuel Garcia-Ruiz; M. Luisa Marcos; Elena Bunuel; Maria Ribagorda; M Carmen Carreno; Diego J. Cardenas; Juan M. Cuerva
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1586
• a: 6.9878 ± 0.0007 Å
• b: 8.8208 ± 0.0009 Å
• c: 10.2905 ± 0.0011 Å
• α: 93.73 ± 0.005°
• β: 109.11 ± 0.006°
• γ: 112.219 ± 0.005°
• Cell volume: 541.74 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No