Information card for entry 7151187

Structure parameters

• Formula: C14 H14 O6 S2
• Calculated formula: C14 H14 O6 S2
• SMILES: c12c3c(c(C(=O)OCC)s1)OCCOc3c(C(=O)OCC)s2
• Title of publication: Synthesis of 3,4-alkoxythieno[2,3-b]thiophene derivatives. The first block copolymer associating the 3,4-ethylenedioxythieno[2,3-b]thiophene (EDOThT) unit with 3,4-ethylenedioxythiophene (EDOT) moieties.
• Authors of publication: Hergué, Noémie; Frère, Pierre
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3442 - 3449
• a: 5.098 ± 0.001 Å
• b: 14.076 ± 0.002 Å
• c: 20.831 ± 0.007 Å
• α: 90°
• β: 92.82 ± 0.02°
• γ: 90°
• Cell volume: 1493 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No