Information card for entry 8000527

Structure parameters

• Formula: C11 H8 N2 O
• Calculated formula: C11 H8 N2 O
• Title of publication: Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.
• Authors of publication: Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Pages of publication: 7357 - 7364
• a: 9.3063 ± 0.0017 Å
• b: 10.2363 ± 0.0017 Å
• c: 9.865 ± 0.002 Å
• α: 90°
• β: 96.832 ± 0.008°
• γ: 90°
• Cell volume: 933.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No