Information card for entry 1515838

Structure parameters

• Formula: C26 H41 N O9
• Calculated formula: C26 H41 N O9
• SMILES: O1C2(O[C@@]3(ON([C@@H](C3)CC(C)C)[C@H]3O[C@@H]([C@@H]4OC(O[C@H]34)(C)C)[C@H]3OC(OC3)(C)C)C1=O)CCCCC2
• Title of publication: Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids
• Authors of publication: Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 637
• a: 10.6909 ± 0.0019 Å
• b: 10.6557 ± 0.0016 Å
• c: 12.547 ± 0.002 Å
• α: 90°
• β: 110.269 ± 0.004°
• γ: 90°
• Cell volume: 1340.8 ± 0.4 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No