Information card for entry 7105905

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• SMILES: c1ccccc1C1=CC(C(=CC1(OC)OC)c1ccccc1)(OC)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: 6.4349 ± 0.0007 Å
• b: 17.3703 ± 0.0019 Å
• c: 8.4716 ± 0.0009 Å
• α: 90°
• β: 110.133 ± 0.003°
• γ: 90°
• Cell volume: 889.06 ± 0.17 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: 0.0407
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No