Information card for entry 7151509

Structure parameters

• Formula: C20 H24 O11 S2
• Calculated formula: C20 H24 O11 S2
• SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SS(=O)(=O)c1ccccc1
• Title of publication: Reductive decomplexation of ?-allyltricarbonyliron lactone complexes using sodium naphthalenide as a route to stereodefined 1,7-diols and 2,3-diene-1,7-diols
• Authors of publication: Hollowood, Christopher J.; Ley, Steven V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 18
• Pages of publication: 3197
• a: 10.747 ± 0.0003 Å
• b: 8.3113 ± 0.0002 Å
• c: 13.5613 ± 0.0004 Å
• α: 90°
• β: 100.432 ± 0.0012°
• γ: 90°
• Cell volume: 1191.29 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0631
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No