Information card for entry 7212904

Structure parameters

• Common name: N-tert-Butyl-2,6-bis(2'-thienyl)dithieno(3,2-b:2',3'-d)pyrrole
• Chemical name: N-tert-Butyl-2,6-bis(2'-thienyl)dithieno[3,2-b:2',3'-d]pyrrole
• Formula: C20 H17 N S4
• Calculated formula: C20 H17 N S4
• Title of publication: Solution and solid-state properties of highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligothiophenes.
• Authors of publication: Mo, Hong; Radke, Karla R.; Ogawa, Katsu; Heth, Christopher L.; Erpelding, Brett T.; Rasmussen, Seth C.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 14585 - 14595
• a: 17.489 ± 0.004 Å
• b: 7.8855 ± 0.0016 Å
• c: 14.54 ± 0.003 Å
• α: 90°
• β: 108.37 ± 0.03°
• γ: 90°
• Cell volume: 1903 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1027
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No