Information card for entry 7158965

Structure parameters

• Formula: C26 H24 N2 O4 S
• Calculated formula: C26 H24 N2 O4 S
• Title of publication: Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC.
• Authors of publication: Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• a: 9.4115 ± 0.0007 Å
• b: 17.492 ± 0.0018 Å
• c: 13.8909 ± 0.001 Å
• α: 90°
• β: 94.077 ± 0.007°
• γ: 90°
• Cell volume: 2281 ± 0.3 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1763
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.2928
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.428
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No