Information card for entry 7153434

Structure parameters

• Formula: C18 H35 N O2
• Calculated formula: C18 H35 N O2
• SMILES: OC[C@H](N)[C@@H](O)C#CCCCCCCCCCCCCC
• Title of publication: A general and concise asymmetric synthesis of sphingosine, safingol and phytosphingosines via tethered aminohydroxylation.
• Authors of publication: Kumar, Pradeep; Dubey, Abhishek; Puranik, Vedavati G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5074 - 5086
• a: 5.9598 ± 0.0005 Å
• b: 5.2424 ± 0.0004 Å
• c: 30.618 ± 0.002 Å
• α: 90°
• β: 94.207 ± 0.002°
• γ: 90°
• Cell volume: 954.04 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0975
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No