Information card for entry 7115805

Structure parameters

• Chemical name: 5,12-bis((triisopropylsilyl)ethynyl)tetracene 1,2,3,4-tetrachloro-6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene
• Formula: C38 H46 Cl4 N2 Si2
• Calculated formula: C38 H46 Cl4 N2 Si2
• SMILES: [Si](C#Cc1c2nc3c(Cl)c(Cl)c(Cl)c(Cl)c3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2c1cccc2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
• Authors of publication: Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12828
• a: 35.4482 ± 0.0019 Å
• b: 15.1828 ± 0.0008 Å
• c: 14.9575 ± 0.0008 Å
• α: 90°
• β: 103.908 ± 0.001°
• γ: 90°
• Cell volume: 7814.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No