Information card for entry 1504778

Structure parameters

• Common name: TDTDT
• Formula: C30 H44 O4 S5 Si2
• Calculated formula: C30 H44 O4 S5 Si2
• SMILES: s1c([Si](C(C)C)(C(C)C)C(C)C)cc2S(=O)(=O)c3c(sc4c5sc([Si](C(C)C)(C(C)C)C(C)C)cc5S(=O)(=O)c34)c12
• 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: 16.2746 ± 0.0004 Å
• b: 16.2746 ± 0.0004 Å
• c: 13.7437 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3640.19 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No