Information card for entry 7237778

Structure parameters

• Formula: C46 H30 N4 S
• Calculated formula: C46 H30 N4 S
• Title of publication: Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs
• Authors of publication: Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 6706
• a: 11.7169 ± 0.0014 Å
• b: 37.416 ± 0.004 Å
• c: 8.5164 ± 0.0011 Å
• α: 90°
• β: 108.75 ± 0.014°
• γ: 90°
• Cell volume: 3535.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No