Information card for entry 1515408

Structure parameters

• Formula: C19 H23 N S2
• Calculated formula: C19 H23 N S2
• SMILES: s1cc2c(c1)nc(s2)c1ccc(cc1)CCCCCCCC
• Title of publication: Easy and versatile synthesis of new poly(thieno[3,4-d]thiazole)s
• Authors of publication: Allard, Nicolas; Najari, Ahmed; Pouliot, Jean-Rémi; Pron, Agnieszka; Grenier, François; Leclerc, Mario
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2875
• a: 5.48322 ± 0.00009 Å
• b: 41.7378 ± 0.0007 Å
• c: 7.65094 ± 0.00013 Å
• α: 90°
• β: 107.176 ± 0.0009°
• γ: 90°
• Cell volume: 1672.89 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No