Information card for entry 2008154

Structure parameters

• Formula: C18 H30 O7 S
• Calculated formula: C18 H30 O7 S
• SMILES: S(=O)(O[C@@H]1[C@H]2OC(O[C@H]2O[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)C1CCCCC1
• Title of publication: 1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl (<i>S</i>)-cyclohexanesulfinate
• Authors of publication: Alayrac, Carole; Saint-Clair, Jean-François; Lemarié, Margareth; Metzner, Patrick; Averbuch-Pouchot, Marie-Thérèse
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 262 - 264
• a: 8.792 ± 0.002 Å
• b: 12.481 ± 0.002 Å
• c: 18.44 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.5 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections: 1.854
• Goodness-of-fit parameter for significantly intense reflections: 1.854
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No