Information card for entry 2009747

Structure parameters

• Formula: C7 H12 O7
• Calculated formula: C7 H12 O7
• SMILES: OC[C@H]([C@H]([C@@H]1OC(=O)[C@@H]([C@@H]1O)O)O)O
• Title of publication: <small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)
• Authors of publication: Søtofte, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 938 - 941
• a: 6.612 ± 0.001 Å
• b: 7.685 ± 0.001 Å
• c: 17.191 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 873.5 ± 0.2 ų
• Cell temperature: 296 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 significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No