Information card for entry 7233684

Structure parameters

• Formula: C22 H18 N4 O6 S2
• Calculated formula: C22 H18 N4 O6 S2
• Title of publication: N-Alkyl functionalized barbituric and thiobarbituric acid bithiophene derivatives for vacuum deposited n-channel OFETs
• Authors of publication: Ying Shu; Annabel Mikosch; Kevin N. Winzenberg; Peter Kemppinen; Christopher D. Easton; Ante Bilic; Craig M. Forsyth; Christopher J. Dunn; Th. Birendra Singh; Gavin E. Collis
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 3895 - 3899
• a: 14.1494 ± 0.0007 Å
• b: 5.0861 ± 0.0002 Å
• c: 15.1825 ± 0.0007 Å
• α: 90°
• β: 108.108 ± 0.005°
• γ: 90°
• Cell volume: 1038.5 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No