Information card for entry 4124841

Structure parameters

• Formula: C52 H55 N3 O
• Calculated formula: C52 H55 N3 O
• Title of publication: A New Molecular Design Based on Thermally Activated Delayed Fluorescence for Highly Efficient Organic Light Emitting Diodes.
• Authors of publication: Rajamalli, Pachaiyappan; Senthilkumar, Natarajan; Gandeepan, Parthasarathy; Huang, Pei-Yun; Huang, Min-Jie; Ren-Wu, Chen-Zheng; Yang, Chi-Yu; Chiu, Ming-Jui; Chu, Li-Kang; Lin, Hao-Wu; Cheng, Chien-Hong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 628 - 634
• a: 16.3143 ± 0.0003 Å
• b: 19.5553 ± 0.0004 Å
• c: 13.7512 ± 0.0002 Å
• α: 90°
• β: 93.026 ± 0.001°
• γ: 90°
• Cell volume: 4380.94 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No