Information card for entry 2005755

Structure parameters

• Chemical name: N-Benzyl-1-deoxy-1-(2-furyl)-1-(hydroxiamino)-2,3:4,5-di- O-isopropylidene-L-manno-pentitol
• Formula: C22 H29 N O6
• Calculated formula: C22 H29 N O6
• SMILES: N(O)([C@@H](c1occc1)[C@@H]1OC(O[C@H]1[C@H]1OC(OC1)(C)C)(C)C)Cc1ccccc1
• Title of publication: Chiral Hydroxylamines. III. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-1-(2-furyl)-2,3:4,5-di-<i>O</i>-isopropylidene-<small>L</small>-<i>manno</i>-pentitol
• Authors of publication: Merino, P.; Junquera, F.; Merchan, F. L.; Tejero, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3197 - 3198
• a: 9.747 ± 0.002 Å
• b: 5.747 ± 0.001 Å
• c: 18.971 ± 0.004 Å
• α: 90°
• β: 91.08 ± 0.03°
• γ: 90°
• Cell volume: 1062.5 ± 0.4 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.1824
• Weighted residual factors for significantly intense reflections: 0.1696
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No