Information card for entry 7133854

Structure parameters

• Formula: C22 H21 N3 O3
• Calculated formula: C22 H21 N3 O3
• Title of publication: Metal-catalyzed divergent synthesis from ylides with 3-arylbenzo[<i>d</i>][1,2,3]triazin-4(3<i>H</i>)-ones.
• Authors of publication: Bao, Mei-Zhu; Pan, Xiao-Ying; Wu, Wen-Rong; Xiao, Lin; Liu, Jidan; Liu, Xu-Ge; Zhang, Shang-Shi; Zhao, Limin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 88
• Pages of publication: 12928 - 12931
• a: 10.6241 ± 0.0002 Å
• b: 20.0539 ± 0.0004 Å
• c: 18.4446 ± 0.0004 Å
• α: 90°
• β: 92.354 ± 0.002°
• γ: 90°
• Cell volume: 3926.39 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0863
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No