Information card for entry 1513923

Structure parameters

• Formula: C12 H23 N O4
• Calculated formula: C12 H23 N O4
• SMILES: O=C1OCC[C@@H](N1)[C@@H](O)[C@@](O)(C)CCCCC.O=C1OCC[C@H](N1)[C@H](O)[C@](O)(C)CCCCC
• 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: 13.862 ± 0.0009 Å
• b: 9.1079 ± 0.0009 Å
• c: 10.5256 ± 0.0014 Å
• α: 90°
• β: 102.094 ± 0.004°
• γ: 90°
• Cell volume: 1299.4 ± 0.2 ų
• Cell temperature: 100.26 K
• Ambient diffraction temperature: 100.26 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: 0.0347
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No