Information card for entry 7155992

Structure parameters

• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: C1(=O)[C@@H]2[C@H]([C@@H]3[C@H]([C@@H]4[C@H](O3)OC(C)(C)O4)N1Cc1ccccc1)O2
• 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: 9.66134 ± 0.00017 Å
• b: 5.45597 ± 0.0001 Å
• c: 14.8724 ± 0.0002 Å
• α: 90°
• β: 93.7727 ± 0.0016°
• γ: 90°
• Cell volume: 782.25 ± 0.02 ų
• Cell temperature: 291.84 ± 0.1 K
• Ambient diffraction temperature: 291.84 ± 0.1 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: 0.0336
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No