Information card for entry 7155368

Structure parameters

• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: O=C1N([C@@H]2[C@H]1O[C@@H]([C@H]2O)c1ccccc1)c1ccc(OC)cc1.O=C1N([C@H]2[C@@H]1O[C@H]([C@@H]2O)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Diastereoselective synthesis of 3-acetoxy-4-(3-aryloxiran-2-yl)azetidin-2-ones and their transformation into 3,4-oxolane-fused bicyclic β-lactams.
• Authors of publication: Piens, Nicola; De Craene, Sven; Franceus, Jorick; Mollet, Karen; Van Hecke, Kristof; Desmet, Tom; D'hooghe, Matthias
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 11279 - 11288
• a: 6.769 ± 0.0004 Å
• b: 17.4058 ± 0.0007 Å
• c: 26.8238 ± 0.0009 Å
• α: 94.767 ± 0.003°
• β: 94.714 ± 0.004°
• γ: 99.371 ± 0.004°
• Cell volume: 3092.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No