Information card for entry 7105906

Structure parameters

• Formula: C26 H24 O4
• Calculated formula: C26 H24 O4
• SMILES: c1ccccc1C#CC1=CC(C(=CC1(OC)OC)C#Cc1ccccc1)(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: 10.786 ± 0.002 Å
• b: 12.338 ± 0.0018 Å
• c: 16.619 ± 0.003 Å
• α: 87.87 ± 0.02°
• β: 80.36 ± 0.03°
• γ: 86.62 ± 0.03°
• Cell volume: 2175.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7513 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No