Information card for entry 7157174

Structure parameters

• Formula: C20 H18 N2 O3
• Calculated formula: C20 H18 N2 O3
• Title of publication: Substituent-oriented C-N bond formation via N-H insertion or Wolff rearrangement of 5-aryl-1H-pyrazoles and diazo compounds
• Authors of publication: Shang, Yongjia; Zuo, Youpeng; He, Xinwei; Ning, Yi; Tang, Qiang; Xie, Mengqing; Hu, Wangcheng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 10.0547 ± 0.0013 Å
• b: 19.198 ± 0.003 Å
• c: 8.7595 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No