Information card for entry 1572854

Structure parameters

• Chemical name: tetrakis(prop-2-en-1-yl) 2,2'-[thiene-2,5-diylbis(methanylylideneazanylylidene)] bis(5-aminothiophene-3,4-dicarboxylate) ethanol solvate
• Formula: C32 H34 N4 O9 S3
• Calculated formula: C32 H34 N4 O9 S3
• Title of publication: Structural study of an electroactive allyl ester thiophenoazomethine for PDMS blending
• Authors of publication: Mulholland, Michael E.; Filiatrault, Heather L.; Maris, Thierry; Skene, W. G.
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2025
• Journal volume: 1320
• Pages of publication: 139416-1 - 139416-8
• a: 11.2834 ± 0.0005 Å
• b: 13.3905 ± 0.0005 Å
• c: 13.4806 ± 0.0005 Å
• α: 113.251 ± 0.002°
• β: 105.083 ± 0.002°
• γ: 98.375 ± 0.002°
• Cell volume: 1734.64 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes