Information card for entry 2242349

Structure parameters

• Common name: <i>N</i>-(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)-2-aminoisobutyric acid
• Formula: C10 H19 N O7
• Calculated formula: C10 H19 N O7
• SMILES: [NH2+](C[C@]1(O)[C@@H](O)[C@H](O)[C@H](O)CO1)C(C(=O)[O-])(C)C
• Title of publication: Crystal structure and hydrogen bonding in <i>N</i>-(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)-2-aminoisobutyric acid
• Authors of publication: Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 72 - 77
• a: 5.8008 ± 0.0019 Å
• b: 9.636 ± 0.003 Å
• c: 10.676 ± 0.004 Å
• α: 87.766 ± 0.003°
• β: 86.33 ± 0.004°
• γ: 82.042 ± 0.004°
• Cell volume: 589.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes