Information card for entry 1567759

Structure parameters

• Formula: C13 H20.2 N2 O2.1
• Calculated formula: C13 H20.196 N2 O2.098
• Title of publication: Iminologous epoxide ring-closure
• Authors of publication: Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 12175 - 12179
• a: 5.7302 ± 0.0007 Å
• b: 9.9783 ± 0.0012 Å
• c: 11.5048 ± 0.0017 Å
• α: 83.662 ± 0.004°
• β: 89.167 ± 0.005°
• γ: 86.054 ± 0.004°
• Cell volume: 652.23 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No