Information card for entry 7204977

Structure parameters

• Chemical name: (3R,4S,1'S)-1-Benzyl-3-(1-benzyloxycarbonylamino)ethyl]-4-(2-furyl)- azetidin-2-one
• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: N1(C(=O)[C@@H]([C@H]1c1occc1)[C@@H](NC(=O)OCc1ccccc1)C)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: 9.626 ± 0.001 Å
• b: 9.626 ± 0.001 Å
• c: 47.354 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.0859
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No