Information card for entry 2006716

Structure parameters

• Chemical name: N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose
• Formula: C19 H27 N O6
• Calculated formula: C19 H27 N O6
• SMILES: N(O)([C@H]1O[C@@H]([C@@H]2OC(O[C@H]12)(C)C)[C@@H]1OC(OC1)(C)C)Cc1ccccc1
• Title of publication: Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose
• Authors of publication: Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1703 - 1705
• a: 5.47 ± 0.001 Å
• b: 18.31 ± 0.004 Å
• c: 18.88 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.34
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No