Information card for entry 1513922

Structure parameters

• Formula: C13 H25 N O4
• Calculated formula: C13 H25 N O4
• SMILES: CCCCC[C@@H]([C@H]([C@H]1NC(=O)OCC1(C)C)O)O.CCCCC[C@H]([C@@H]([C@@H]1NC(=O)OCC1(C)C)O)O
• Title of publication: Aminodiols via Stereocontrolled Oxidation of Methyleneaziridines.
• Authors of publication: Rigoli, Jared W.; Guzei, Ilia A.; Schomaker, Jennifer M.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1696 - 1699
• a: 20.097 ± 0.003 Å
• b: 5.6328 ± 0.0008 Å
• c: 26.033 ± 0.004 Å
• α: 90°
• β: 105.683 ± 0.009°
• γ: 90°
• Cell volume: 2837.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No