Information card for entry 1547306

Structure parameters

• Formula: C10 H8 O2
• Calculated formula: C10 H8 O2
• SMILES: o1cccc1/C=C/c1occc1
• Title of publication: Evaluation of (E)-1,2-di(furan-2-yl)ethene as building unit in diketopyrrolopyrrole alternating copolymers for transistors
• Authors of publication: Stefan, Mihaela Corina; Du, Jia; Bulumulla, Chandima; Mejia, Israel; McCandless, Gregory T.; Biewer, Michael C.
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 9.49 ± 0.003 Å
• b: 11.322 ± 0.004 Å
• c: 7.377 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 792.6 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No