Information card for entry 7156273

Structure parameters

• Chemical name: (1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol
• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• Title of publication: Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.
• Authors of publication: Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 4688 - 4700
• a: 6.2246 ± 0.0002 Å
• b: 26.4216 ± 0.0012 Å
• c: 8.1454 ± 0.0004 Å
• α: 90°
• β: 93.774 ± 0.003°
• γ: 90°
• Cell volume: 1336.72 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No