Information card for entry 2219091

Structure parameters

• Formula: C6 H12 O5
• Calculated formula: C6 H12 O5
• SMILES: O[C@H]1[C@@H](O[C@@H](C)[C@H]([C@H]1O)O)O
• Title of publication: 6-Deoxy-α-<small>L</small>-talopyranose
• Authors of publication: Booth, K. Victoria; Jenkinson, Sarah F.; Fleet, George W. J.; Gullapalli, Pushpakiran; Yoshihara, Akihide; Izumori, Ken; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1385
• a: 6.4939 ± 0.0003 Å
• b: 7.4874 ± 0.0004 Å
• c: 14.8382 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 721.47 ± 0.06 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: 0.035
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No