Information card for entry 1504779

Structure parameters

• Common name: TD2TD
• Formula: C30 H44 O4 S5 Si2
• Calculated formula: C30 H44 O4 S5 Si2
• SMILES: s1c(cc2c1c1c(S2(=O)=O)c2c(s1)c1c(s2)C=C(S1(=O)=O)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Electronic modulation of fused oligothiophenes by chemical oxidation.
• Authors of publication: Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3393 - 3396
• a: 7.074 ± 0.002 Å
• b: 13.714 ± 0.004 Å
• c: 17.962 ± 0.005 Å
• α: 90°
• β: 100.071 ± 0.0016°
• γ: 90°
• Cell volume: 1715.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No