Information card for entry 7204332

Structure parameters

• Chemical name: R,S-2-(1-Isopropyl-4-(isopropylimino)-2-oxo-3-pivaloylazetidin -3-yl)-2,6-di-tert-butyl-5-methoxycarbonyl-1,3-dioxin-4(2H)-one
• Formula: C28 H44 N2 O7
• Calculated formula: C28 H44 N2 O7
• Title of publication: Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene
• Authors of publication: Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 599
• a: 16.964 ± 0.005 Å
• b: 11.267 ± 0.003 Å
• c: 17.01 ± 0.005 Å
• α: 90°
• β: 117.62 ± 0.02°
• γ: 90°
• Cell volume: 2880.7 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No