Information card for entry 1567760

Structure parameters

• Formula: C13 H19 N O5
• Calculated formula: C13 H19 N O5
• 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: 11.2115 ± 0.0008 Å
• b: 11.5329 ± 0.0009 Å
• c: 11.145 ± 0.0008 Å
• α: 90°
• β: 104.981 ± 0.004°
• γ: 90°
• Cell volume: 1392.08 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No