Information card for entry 4038792

Structure parameters

• Formula: C11 H9 N3 O
• Calculated formula: C11 H9 N3 O
• Title of publication: TEMPO-Mediated C-H Amination of Benzoxazoles with N-Heterocycles.
• Authors of publication: Wang, Jian; Li, Jiang-Hua; Guo, Yidong; Dong, Hongbo; Liu, Qiang; Yu, Xiao-Qi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12797 - 12803
• a: 7.073 ± 0.0007 Å
• b: 8.1167 ± 0.0007 Å
• c: 8.7016 ± 0.0009 Å
• α: 86.895 ± 0.007°
• β: 81.037 ± 0.008°
• γ: 71.308 ± 0.008°
• Cell volume: 467.42 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0607
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No