Information card for entry 7204979

Structure parameters

• Chemical name: (3R,4S,1'S)-3-[1-(Benzyloxycarbonylamino)ethyl]-1-tert-butyl-4- mesityl-azetidin-2-one
• Formula: C26 H34 N2 O3
• Calculated formula: C26 H34 N2 O3
• SMILES: N1(C(=O)[C@@H]([C@H]1c1c(cc(cc1C)C)C)[C@@H](NC(=O)OCc1ccccc1)C)C(C)(C)C
• 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: 9.742 ± 0.002 Å
• b: 15.886 ± 0.003 Å
• c: 32.683 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5058.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1786
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for all reflections: 0.2476
• Weighted residual factors for significantly intense reflections: 0.1879
• Goodness-of-fit parameter for all reflections: 1.15
• Goodness-of-fit parameter for significantly intense reflections: 1.338
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No