Information card for entry 1556130

Structure parameters

• Formula: C13 H19 N O3
• Calculated formula: C13 H19 N O3
• SMILES: O=C1OC[C@H]2N1[C@H](CC=C2)C1(O)CCCCC1
• Title of publication: Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.
• Authors of publication: Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 160 - 163
• a: 9.917 ± 0.001 Å
• b: 10.626 ± 0.002 Å
• c: 11.336 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1194.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No