Information card for entry 7117633

Structure parameters

• Chemical name: bisphenalenethienoacene
• Formula: C52 H54 S2 Si2
• Calculated formula: C52 H54 S2 Si2
• SMILES: s1c2c(c3cccc4ccc(c(c34)c2c2sc3c(c4cccc5c4c(c(cc5)C)c3c12)C#C[Si](C(C)C)(C(C)C)C(C)C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Pro-aromatic bisphenaleno-thieno[3,2-b]thiophene versus anti-aromatic bisindeno-thieno[3,2-b]thiophene: different ground-state properties and applications in field-effect transistors
• Authors of publication: Xueliang Shi; Sangsu Lee; Minjung Son; Bin Zheng; Jingjing Chang; Linzhi Jing; Kuo-Wei Huang; Dongho Kim; Chunyan Chi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13178
• a: 17.7574 ± 0.0016 Å
• b: 14.7085 ± 0.0014 Å
• c: 17.0416 ± 0.0015 Å
• α: 90°
• β: 90.251 ± 0.005°
• γ: 90°
• Cell volume: 4451 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1048
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No