Information card for entry 7204976

Structure parameters

• Chemical name: (3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-nitrophenyl)-azetidin-2-one
• Formula: C26 H25 N3 O5
• Calculated formula: C26 H25 N3 O5
• SMILES: O=C1N([C@H]([C@@H]1[C@@H](NC(=O)OCc1ccccc1)C)c1ccc(cc1)N(=O)=O)Cc1ccccc1
• 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: 9.312 ± 0.002 Å
• b: 9.733 ± 0.002 Å
• c: 26.55 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2406.3 ± 0.9 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: 0.1101
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No