Information card for entry 2212152

Structure parameters

• Chemical name: 2-C-Hydroxmethyl-2,3-O-isopropylidene-D-mannono-1,5-lactam
• Formula: C10 H17 N O6
• Calculated formula: C10 H17 N O6
• SMILES: [C@@]12([C@H]([C@@H]([C@H](NC1=O)CO)O)OC(O2)(C)C)CO
• Title of publication: 2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-mannono-1,5-lactam
• Authors of publication: Bream, Richard; Hunter, Stuart J.; Fleet, George W.J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o621 - o623
• a: 6.3477 ± 0.0002 Å
• b: 12.4398 ± 0.0003 Å
• c: 14.1469 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1117.1 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0341
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes