Information card for entry 7124645

Structure parameters

• Formula: C21 H27 N3 O4
• Calculated formula: C21 H27 N3 O4
• Title of publication: Simple magnesium catalyst mediated γ-butyrolactams in desymmetrization of meso-aziridines.
• Authors of publication: Li, Dan; Wang, Yijie; Wang, Linqing; Wang, Jie; Wang, Pengxin; Wang, Kezhou; Lin, Li; Liu, Dongsheng; Jiang, Xianxing; Yang, Dongxu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 62
• Pages of publication: 9640 - 9643
• a: 16.8244 ± 0.0006 Å
• b: 6.0896 ± 0.0002 Å
• c: 41.9414 ± 0.0016 Å
• α: 90°
• β: 101.245 ± 0.004°
• γ: 90°
• Cell volume: 4214.6 ± 0.3 ų
• Cell temperature: 293.66 ± 0.1 K
• Ambient diffraction temperature: 293.66 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No