Information card for entry 2204560

Structure parameters

• Chemical name: 5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-D-talono-1,5-lactam
• Formula: C10 H17 N O6
• Calculated formula: C10 H17 N O6
• SMILES: N1C(=O)[C@@]2([C@H]([C@H]([C@H]1CO)O)OC(O2)(C)C)CO
• Title of publication: 5-Amino-5-deoxy-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-talono-1,5-lactam
• Authors of publication: Ameijde, Jeroen van; Cowley, Andrew R.; Fleet, George W. J.; Nash, Robert J.; Iezzi Simone, Michela; Soengas, Raquel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2140 - o2141
• a: 6.1266 ± 0.0002 Å
• b: 6.7254 ± 0.0002 Å
• c: 13.8419 ± 0.0005 Å
• α: 90°
• β: 99.6456 ± 0.0014°
• γ: 90°
• Cell volume: 562.28 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0334
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No