Information card for entry 2202921

Structure parameters

• Chemical name: (1R*,5S*,6S*,7R*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one
• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: OC[C@]1(O)[C@H](O)[C@@H]2OC(=O)C[C@H]12
• Title of publication: (1<i>R</i>*,5<i>S</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: Caddy, Judy; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1095 - o1097
• a: 6.5888 ± 0.0009 Å
• b: 7.4342 ± 0.001 Å
• c: 15.303 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 749.58 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.043
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes