Information card for entry 2219388

Structure parameters

• Chemical name: 1-Deoxy-L-mannitol
• Formula: C6 H14 O5
• Calculated formula: C6 H14 O5
• SMILES: O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H](O)C
• Title of publication: 1-Deoxy-<small>L</small>-mannitol (6-deoxy-<small>L</small>-mannitol or <small>L</small>-rhamnitol)
• Authors of publication: Jenkinson, Sarah F.; Booth, K. Victoria; Gullapalli, Pushpakiran; Morimoto, Kenji; Izumori, Ken; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1705 - o1706
• a: 7.365 ± 0.0003 Å
• b: 7.6272 ± 0.0003 Å
• c: 13.7676 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 773.39 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes