Information card for entry 7160612

Structure parameters

• Chemical name: (E)-3-methyl-N,2-di-p-tolylisoindolin-1-imine
• Formula: C21 H18 N2
• Calculated formula: C21 H18 N2
• Title of publication: Mild and efficient construction of nitrogen-containing heterocycles from <i>ortho</i>-ethynylbenzaldehydes and anilines.
• Authors of publication: Zhao, Juan; Qian, Hui-Min; Zi, You; Ji, Shun-Jun; Xu, Xiao-Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 6938 - 6942
• a: 14.6041 ± 0.0003 Å
• b: 10.4311 ± 0.0002 Å
• c: 21.7838 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.47 ± 0.11 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No