Information card for entry 7234872

Structure parameters

• Formula: C41 H36 B N O2 S2
• Calculated formula: C41 H36 B N O2 S2
• SMILES: s1c2c(c(sc2cc1B(OC)c1c(cc(C)cc1C)C)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(OC)cc1
• Title of publication: Novel organoboron compounds derived from thieno[3,2-b]thiophene and triphenylamine units for OLED devices
• Authors of publication: G. Turkoglu; M. E. Cinar; A. Buyruk; E. Tekin; S. P. Mucur; K. Kaya; T. Ozturk
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6045 - 6053
• a: 37.895 ± 0.011 Å
• b: 11.54 ± 0.003 Å
• c: 16.393 ± 0.005 Å
• α: 90°
• β: 102.316 ± 0.009°
• γ: 90°
• Cell volume: 7004 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No