Information card for entry 4036173

Structure parameters

• Formula: C10 H14 B10 N2 S
• Calculated formula: C10 H14 B10 N2 S
• SMILES: s1c([C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[BH]4%13%14[BH]%156([BH]679[BH]7%102[BH]%1134[BH]%13%1567)[CH]58%12%14)ccc1C=C(C#N)C#N
• Title of publication: Electronic Alteration on Oligothiophenes by o-Carborane: Electron Acceptor Character of o-Carborane in Oligothiophene Frameworks with Dicyano-Vinyl End-On Group.
• Authors of publication: Kim, So-Yoen; Lee, Ah-Rang; Jin, Guo Fan; Cho, Yang-Jin; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4573 - 4580
• a: 18.348 ± 0.006 Å
• b: 7.522 ± 0.002 Å
• c: 12.006 ± 0.004 Å
• α: 90°
• β: 104.643 ± 0.006°
• γ: 90°
• Cell volume: 1603.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1278
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No