Information card for entry 2222794

Structure parameters

• Chemical name: 2,6-Dideoxy-2,6-imino-L-<i>glycero</i>-D-<i>ido</i>-heptitol
• Formula: C7 H15 N O5
• Calculated formula: C7 H15 N O5
• SMILES: OC[C@@H]1N[C@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
• Title of publication: 2,6-Dideoxy-2,6-imino-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>ido</i>-heptitol
• Authors of publication: Jenkinson, Sarah F.; Booth, K. Victoria; Newberry, Scott; Fleet, George W. J.; Izumori, Ken; Morimoto, Kenji; Nash, Robert J.; Jones, Laurence; Watkin, David J.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1755 - o1756
• a: 10.2907 ± 0.0003 Å
• b: 7.6035 ± 0.0003 Å
• c: 11.0057 ± 0.0003 Å
• α: 90°
• β: 91.8668 ± 0.0016°
• γ: 90°
• Cell volume: 860.69 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes