Information card for entry 7132644

Structure parameters

• Formula: C17 H16 N2
• Calculated formula: C17 H16 N2
• Title of publication: DMF as an amine source: iron-catalyzed cyclization of 2<i>H</i>-azirines to imidazoles.
• Authors of publication: Zhao, Mi-Na; Yang, Zi-Mo; Li, Lian-Qing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 14
• Pages of publication: 1904 - 1907
• a: 12.0756 ± 0.0012 Å
• b: 8.8912 ± 0.0009 Å
• c: 12.87 ± 0.0012 Å
• α: 90°
• β: 92.604 ± 0.003°
• γ: 90°
• Cell volume: 1380.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No