Information card for entry 1502076

Structure parameters

• Formula: C26 H36 N2 O2 S2
• Calculated formula: C26 H36 N2 O2 S2
• Title of publication: Facile synthesis of 3-alkoxy-4-cyanothiophenes as new building blocks for donor-acceptor conjugated systems.
• Authors of publication: Hergué, Noémie; Mallet, Charlotte; Savitha, Gurunathan; Allain, Magali; Frère, Pierre; Roncali, Jean
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 1762 - 1765
• a: 5.046 ± 0.002 Å
• b: 14.874 ± 0.005 Å
• c: 18.545 ± 0.007 Å
• α: 77.02 ± 0.03°
• β: 83.19 ± 0.03°
• γ: 82.81 ± 0.03°
• Cell volume: 1339.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No