Information card for entry 1571492

Structure parameters

• Formula: C29 H19 N3 O
• Calculated formula: C29 H19 N3 O
• Title of publication: Improving electron transportation and operational lifetime of full color organic light emitting diodes through a "weak hydrogen bonding cage" structure.
• Authors of publication: Zhou, Huayi; Li, Tengyue; Xie, Mingliang; Zhou, Yannan; Sun, Qikun; Zhang, Shi-Tong; Zhang, Yujian; Yang, Wenjun; Xue, Shanfeng
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8106 - 8111
• a: 18.684 ± 0.004 Å
• b: 6.0072 ± 0.0013 Å
• c: 19.711 ± 0.004 Å
• α: 90°
• β: 102.008 ± 0.004°
• γ: 90°
• Cell volume: 2163.9 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No