Information card for entry 2005536

Structure parameters

• Chemical name: (1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine
• Formula: C22 H30 N2 O5
• Calculated formula: C22 H30 N2 O5
• SMILES: o1c(ccc1)[C@@H]([C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)N(Cc1ccccc1)O
• Title of publication: Chiral Hydroxylamines. II. (1<i>R</i>,2<i>R</i>)-<i>N</i>-Benzyl-<i>N</i>-[(3-<i>tert</i>-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine
• Authors of publication: Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2536 - 2538
• a: 12.314 ± 0.001 Å
• b: 12.425 ± 0.001 Å
• c: 14.855 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.8 ± 0.8 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: 0.0387
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.103
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No