Information card for entry 2202569

Structure parameters

• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: O1[C@]2([C@H]([C@H](O)[C@@H]2O)CC1=O)CO
• Title of publication: (1<i>R</i>*,5<i>R</i>*,6<i>S</i>*,7<i>R</i>*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one
• Authors of publication: Blann, Kevin; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1551 - o1553
• a: 11.532 ± 0.005 Å
• b: 11.532 ± 0.005 Å
• c: 5.328 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 613.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes