Information card for entry 1572823

Structure parameters

• Formula: C58 H50 N4 O
• Calculated formula: C58 H50 N4 O
• Title of publication: Highly Efficient Pure Organic Near-ultraviolet (NUV) Electro-fluorescent Materials with High Electron Mobility and Improved Hole Mobility
• Authors of publication: Zhou, Huayi; Wang, Runzhe; Sun, Mizhen; Zhou, Yannan; Zhang, Li; Song, Jingru; Sun, Qikun; Zhang, Shitong; Yang, Wenjun; Xue, Shanfeng
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.3152 ± 0.0019 Å
• b: 12.2542 ± 0.0016 Å
• c: 20.6868 ± 0.0014 Å
• α: 79.983 ± 0.007°
• β: 82.962 ± 0.01°
• γ: 71.165 ± 0.015°
• Cell volume: 2431 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2219
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.2692
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No