Information card for entry 1554428

Structure parameters

• Common name: Organic Compound
• Formula: C48 H50 N4 Si2
• Calculated formula: C48 H50 N4 Si2
• SMILES: CC(C)[Si](C(C)C)(C(C)C)C#Cc1ccc2c3c(C(c2c1)=C(C#N)C#N)cc1c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2C(c1c3)=C(C#N)C#N
• Title of publication: Triisopropylsilylethynyl-substituted indenofluorenes: carbonyl versus dicyanovinylene functionalization in one-dimensional molecular crystals and solution-processed n-channel OFETs
• Authors of publication: Ozdemir, Resul; Park, Sangyun; Deneme, İbrahim; Park, Yonghan; Zorlu, Yunus; Alidagi, Husniye Ardic; Harmandar, Kevser; Kim, Choongik; Usta, Hakan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 2912
• a: 39.755 ± 0.005 Å
• b: 10.0294 ± 0.0012 Å
• c: 11.4351 ± 0.0014 Å
• α: 90°
• β: 102.874 ± 0.008°
• γ: 90°
• Cell volume: 4444.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.202
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.3031
• Weighted residual factors for all reflections included in the refinement: 0.373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No