Information card for entry 7204981

Structure parameters

• Chemical name: (3R,4R,1'S)-4-Acetoxy-1-benzyl-3-[1-(benzyloxycarbonylamino)ethyl]- azetidin-2-one
• Formula: C22 H24 N2 O5
• Calculated formula: C22 H24 N2 O5
• Title of publication: Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction
• Authors of publication: Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2566
• a: 12.3571 ± 0.0006 Å
• b: 9.1315 ± 0.0009 Å
• c: 19.0056 ± 0.0008 Å
• α: 90°
• β: 94.281 ± 0.004°
• γ: 90°
• Cell volume: 2138.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1908
• Weighted residual factors for significantly intense reflections: 0.1553
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No