Information card for entry 7219287

Structure parameters

• Common name: Butyl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine
• Chemical name: I2-3-alkyl-EDOT
• Formula: C18 H21 I2 N O4 S2
• Calculated formula: C18 H21 I2 N O4 S2
• 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: 23.3143 ± 0.0014 Å
• b: 23.3143 ± 0.0014 Å
• c: 8.1165 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4411.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No