Information card for entry 4030119

Structure parameters

• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: O[C@@H]1[C@@H]2N([C@@H](c3ccccc3)C)CC[C@H]([C@@H]2OC1=O)O
• Title of publication: Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
• Authors of publication: Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 22
• Pages of publication: 10932 - 10944
• a: 25.9883 ± 0.0007 Å
• b: 25.9883 ± 0.0007 Å
• c: 5.81758 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3402.74 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No