Information card for entry 7129416

Structure parameters

• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: O=C(c1[nH]ccc1)c1ccccc1
• Title of publication: Selenium atoms induce organic doped system to produce pure phosphorescence emission
• Authors of publication: Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 3.9549 ± 0.0004 Å
• b: 10.6225 ± 0.0013 Å
• c: 10.6802 ± 0.0011 Å
• α: 98.127 ± 0.004°
• β: 98.311 ± 0.003°
• γ: 98.368 ± 0.004°
• Cell volume: 433.16 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No