Information card for entry 7155991

Structure parameters

• Formula: C14 H17 N O4
• Calculated formula: C14 H17 N O4
• SMILES: C1(=O)N(C[C@@H]([C@@H]2[C@H]1O2)O)[C@H](c1ccc(OC)cc1)C
• Title of publication: The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.
• Authors of publication: Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 77 - 88
• a: 6.32903 ± 0.00009 Å
• b: 8.54815 ± 0.00013 Å
• c: 23.7167 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.11 ± 0.03 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 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: 0.0306
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No