Information card for entry 2223644

Structure parameters

• Chemical name: Diethyl 3,4-bis(2,5-dimethoxybenzyl)thieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate
• Formula: C30 H32 O8 S2
• Calculated formula: C30 H32 O8 S2
• SMILES: c12c(c(c(C(=O)OCC)s2)Cc2cc(ccc2OC)OC)c(c(C(=O)OCC)s1)Cc1c(ccc(c1)OC)OC
• Title of publication: Diethyl 3,4-bis(2,5-dimethoxybenzyl)thieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate
• Authors of publication: Umadevi, M.; Sureshbabu, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2790
• a: 9.9439 ± 0.0003 Å
• b: 10.8163 ± 0.0003 Å
• c: 14.7536 ± 0.0005 Å
• α: 82.61 ± 0.002°
• β: 89.49 ± 0.002°
• γ: 64.983 ± 0.001°
• Cell volume: 1424.19 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes