Information card for entry 4030116

Structure parameters

• Formula: C19 H29 N O4
• Calculated formula: C19 H29 N O4
• SMILES: O(C(=O)C[C@@H]1N([C@@H](c2ccccc2)C)CC[C@H]([C@@H]1O)O)C(C)(C)C
• 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: 10.6486 ± 0.0004 Å
• b: 8.3141 ± 0.0003 Å
• c: 11.0574 ± 0.0005 Å
• α: 90°
• β: 105.074 ± 0.0015°
• γ: 90°
• Cell volume: 945.26 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0402
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No