Information card for entry 1504005

Structure parameters

• Common name: T-FT
• Chemical name: 2-(thiophen-2-yl)thieno[3,2-b]furan
• Formula: C10 H6 O S2
• Calculated formula: C10 H6 O S2
• SMILES: s1ccc2oc(cc12)c1sccc1
• Title of publication: Facile and scalable synthesis of the fused-ring heterocycles thieno[3,2-b]thiophene and thieno[3,2-b]furan.
• Authors of publication: Henssler, John T.; Matzger, Adam J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3144 - 3147
• a: 9.43737 ± 0.0001 Å
• b: 16.8839 ± 0.0003 Å
• c: 5.68402 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 905.69 ± 0.02 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No