Information card for entry 1507636

Structure parameters

• Formula: C28 H18 S2
• Calculated formula: C28 H18 S2
• SMILES: s1c(c2cc3cccccc3c2)ccc1c1sc(c2cc3c(c2)ccccc3)cc1
• Title of publication: Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).
• Authors of publication: Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2316 - 2319
• a: 6.055 ± 0.006 Å
• b: 7.542 ± 0.008 Å
• c: 21.6 ± 0.02 Å
• α: 90°
• β: 95.65 ± 0.02°
• γ: 90°
• Cell volume: 981.6 ± 1.7 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No