Information card for entry 7129419

Structure parameters

• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: O=C(Oc1ccccc1)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: 5.6958 ± 0.0004 Å
• b: 14.7552 ± 0.001 Å
• c: 12.4061 ± 0.001 Å
• α: 90°
• β: 101.086 ± 0.002°
• γ: 90°
• Cell volume: 1023.19 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No