Information card for entry 7219289

Structure parameters

• Common name: 1,2-Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)-bis-dimethylsilanyl-methane
• Chemical name: I2-4-EDOT
• Formula: C18 H24 I2 O4 S2 Si2
• Calculated formula: C18 H24 I2 O4 S2 Si2
• SMILES: Ic1sc([Si](C)(C)CC[Si](C)(C)c2sc(I)c3OCCOc23)c2OCCOc12
• Title of publication: Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization
• Authors of publication: Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.5004 ± 0.0007 Å
• b: 7.2281 ± 0.0003 Å
• c: 19.8464 ± 0.0008 Å
• α: 90°
• β: 96.182 ± 0.001°
• γ: 90°
• Cell volume: 2495.86 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No