Information card for entry 4036174

Structure parameters

• Formula: C18 H16 B10 N4 S2
• Calculated formula: C18 H16 B10 N4 S2
• SMILES: [BH]1234[BH]567[BH]89%10[C]36%11(c3ccc(s3)C=C(C#N)C#N)[BH]364[BH]4%122[BH]215[BH]15%12[BH]%128([BH]341[C]%106%11%12c1ccc(C=C(C#N)C#N)s1)[BH]7925
• 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: 15.986 ± 0.008 Å
• b: 11.333 ± 0.006 Å
• c: 14.165 ± 0.007 Å
• α: 90°
• β: 114.529 ± 0.008°
• γ: 90°
• Cell volume: 2335 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1313
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2462
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No