Information card for entry 1575133

Structure parameters

• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• Title of publication: Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles
• Authors of publication: Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 31
• Pages of publication: 9445 - 9451
• a: 15.7315 ± 0.0007 Å
• b: 9.3263 ± 0.0004 Å
• c: 21.7128 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.6 ± 0.2 ų
• Cell temperature: 295.27 K
• Ambient diffraction temperature: 295.27 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: 0.0685
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No