Information card for entry 7204980

Structure parameters

• Chemical name: (E,3S,4S,1'S)-1-Allyl-3-[1-(benzyloxycarbonylamino)-2-methylpropyl]- 4-(2-phenylethenyl)-azetidin-2-one
• Formula: C26 H30 N2 O3
• Calculated formula: C26 H30 N2 O3
• SMILES: N1(C(=O)[C@H]([C@@H]1/C=C/c1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(C)C)CC=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: 10.158 ± 0.002 Å
• b: 9.524 ± 0.002 Å
• c: 12.5834 ± 0.0015 Å
• α: 90°
• β: 97.301 ± 0.012°
• γ: 90°
• Cell volume: 1207.5 ± 0.4 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: 0.0575
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No