Information card for entry 7221726

Structure parameters

• Common name: Benzhydryl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine
• Formula: C27 H23 I2 N O4 S2
• Calculated formula: C27 H23 I2 N O4 S2
• Title of publication: Influence of Benzene Ring Number Attached on non-conjugated 3,4- Ethylenedioxythiophene Derivatives for Solid State Polymerization
• Authors of publication: Xia, Jiangbin; Huang, Lili; Peng, Kai; Pei, Tong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.806 ± 0.003 Å
• b: 18.527 ± 0.003 Å
• c: 15.312 ± 0.002 Å
• α: 90°
• β: 109.866 ± 0.004°
• γ: 90°
• Cell volume: 5551.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No