Information card for entry 7228159

Structure parameters

• Common name: DTBT
• Chemical name: '4,7-dithien-2-yl-2,1,3-benzothiadiazole'
• Formula: C14 H8 N2 S3
• Calculated formula: C13.992 H7.59 N2 S2.992
• Title of publication: Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole
• Authors of publication: Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 9.969 ± 0.001 Å
• b: 12.775 ± 0.001 Å
• c: 20.278 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2582.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1767
• Weighted residual factors for significantly intense reflections: 0.1483
• Goodness-of-fit parameter for all reflections: 0.997
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No