Information card for entry 2006944

Structure parameters

• Chemical name: (2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine
• Formula: C16 H26 N2 O3
• Calculated formula: C16 H26 N2 O3
• SMILES: O=C(OC(C)(C)C)N[C@H]([C@@H](N(O)Cc1ccccc1)C)C
• Title of publication: Chiral Hydroxylamines. V. (2<i>S</i>,3<i>S</i>)-<i>N</i>-Benzyl-<i>N</i>-[3-(<i>tert</i>-butoxycarbonylamino)-2-butyl]hydroxylamine
• Authors of publication: Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 85 - 86
• a: 6.358 ± 0.005 Å
• b: 10.463 ± 0.005 Å
• c: 12.842 ± 0.005 Å
• α: 90°
• β: 94.57 ± 0.05°
• γ: 90°
• Cell volume: 851.6 ± 0.9 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: 0.073
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.1292
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No