Information card for entry 1542298

Structure parameters

• Chemical name: 4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole
• Formula: C50 H34 N2 Se
• Calculated formula: C50 H34 N2 Se
• Title of publication: High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion
• Authors of publication: Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2888
• a: 10.2218 ± 0.0007 Å
• b: 9.8805 ± 0.001 Å
• c: 20.3205 ± 0.0016 Å
• α: 90°
• β: 117.561 ± 0.006°
• γ: 90°
• Cell volume: 1819.4 ± 0.3 ų
• Cell temperature: 104.6 K
• Ambient diffraction temperature: 104.6 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: 0.0606
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No