Information card for entry 1556129

Structure parameters

• Formula: C15 H23 N O3
• Calculated formula: C15 H23 N O3
• SMILES: N1([C@H](COC1=O)C=C)[C@H](C1(O)CCCCC1)CC=C
• 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: 11.479 ± 0.002 Å
• b: 16.064 ± 0.002 Å
• c: 12.35 ± 0.002 Å
• α: 90°
• β: 101.98 ± 0.01°
• γ: 90°
• Cell volume: 2227.7 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No