Information card for entry 4030115

Structure parameters

• Formula: C22 H33 N O5
• Calculated formula: C22 H33 N O5
• SMILES: O1[C@H]2[C@@H](OC1(C)C)[C@@H](N(CC2)[C@@H](c1ccccc1)C)[C@@H](O)C(=O)OC(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: 18.4924 ± 0.0004 Å
• b: 10.2023 ± 0.0003 Å
• c: 11.8598 ± 0.0003 Å
• α: 90°
• β: 100.565 ± 0.002°
• γ: 90°
• Cell volume: 2199.6 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No