Information card for entry 2223302

Structure parameters

• Chemical name: Diethyl 3,4-bis-(acetoxymethyl)thieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate
• Formula: C18 H20 O8 S2
• Calculated formula: C18 H20 O8 S2
• SMILES: CCOC(=O)c1sc2c(c1COC(=O)C)c(c(s2)C(=O)OCC)COC(=O)C
• Title of publication: Diethyl 3,4-bis(acetoxymethyl)thieno[2,3-<i>b</i>]thiophene-2,5-dicarboxylate
• Authors of publication: Gunasekaran, B.; 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: 10
• Pages of publication: o2455
• a: 9.3214 ± 0.0005 Å
• b: 10.2416 ± 0.0006 Å
• c: 10.6622 ± 0.0006 Å
• α: 84.952 ± 0.003°
• β: 82.814 ± 0.004°
• γ: 75.432 ± 0.003°
• Cell volume: 975.72 ± 0.1 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: 0.0893
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes