Information card for entry 7105904

Structure parameters

• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: COc1c(cc(c(c1)c1ccccc1)OC)c1ccccc1
• 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: 5.8194 ± 0.0003 Å
• b: 18.0195 ± 0.0008 Å
• c: 7.6388 ± 0.0003 Å
• α: 90°
• β: 100.028 ± 0.002°
• γ: 90°
• Cell volume: 788.79 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No