Information card for entry 2004098

Structure parameters

• Chemical name: N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.
• Formula: C17 H23 N3 O3
• Calculated formula: C17 H23 N3 O3
• SMILES: O1[C@@H]([C@H](N(O)Cc2ccccc2)c2n(ccn2)C)COC1(C)C
• Title of publication: Chiral Hydroxylamines. I. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-2,3-<i>O</i>-isopropylidene-1-(1-methylimidazol-2-yl)-<small>D</small>-<i>threo</i>-triitol
• Authors of publication: Merino, P.; Merchan, F. L.; Tejero, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2400 - 2401
• a: 8.388 ± 0.002 Å
• b: 10.527 ± 0.002 Å
• c: 19.73 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1742.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.1027
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No