Information card for entry 7234871

Structure parameters

• Formula: C31 H23 N O S2
• Calculated formula: C31 H23 N O S2
• 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: 23.492 ± 0.0015 Å
• b: 9.2655 ± 0.0005 Å
• c: 22.1072 ± 0.0012 Å
• α: 90°
• β: 92.766 ± 0.004°
• γ: 90°
• Cell volume: 4806.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No