Information card for entry 7153107

Structure parameters

• Formula: C13 H19 N3 O6
• Calculated formula: C13 H19 N3 O6
• SMILES: O1[C@@H]2[C@@H](OC(O[C@@H]2[C@@H]2OC(OC2)(C)C)(C)C)[C@@H](C1=O)N=N#N
• Title of publication: An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.
• Authors of publication: Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 6886 - 6899
• a: 7.36955 ± 0.00008 Å
• b: 8.40431 ± 0.00011 Å
• c: 24.1914 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.32 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0246
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No