Information card for entry 1515839

Structure parameters

• Formula: C26 H41 N O9
• Calculated formula: C26 H41 N O9
• SMILES: CC([C@@H]1N(O[C@@]2([C@H]1C)OC1(OC2=O)CCCCC1)[C@@H]1O[C@H]([C@@H]2[C@H]1OC(O2)(C)C)[C@H]1COC(O1)(C)C)C
• 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: 5.9601 ± 0.001 Å
• b: 10.917 ± 0.0017 Å
• c: 20.891 ± 0.004 Å
• α: 90°
• β: 94.816 ± 0.004°
• γ: 90°
• Cell volume: 1354.5 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No