Information card for entry 7105909

Structure parameters

• Formula: C24 H22 F6 O4 S2
• Calculated formula: C24 H22 F6 O4 S2
• SMILES: S(c1ccc(C2=CC(OC)(C(=CC2(OC)OC)c2ccc(SC(F)(F)F)cc2)OC)cc1)C(F)(F)F
• 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: 13.639 ± 0.003 Å
• b: 6.376 ± 0.0013 Å
• c: 27.642 ± 0.006 Å
• α: 90°
• β: 94.69 ± 0.03°
• γ: 90°
• Cell volume: 2395.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7513 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No