Information card for entry 1504009

Structure parameters

• Formula: C10 H20 O4
• Calculated formula: C10 H20 O4
• SMILES: C(=O)([C@@]([C@H]([C@H](CO)C)O)(CC)C)OC.C(=O)([C@]([C@@H]([C@@H](CO)C)O)(CC)C)OC
• Title of publication: Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.
• Authors of publication: Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3148 - 3151
• a: 12.9287 ± 0.0003 Å
• b: 10.867 ± 0.0003 Å
• c: 8.3246 ± 0.0002 Å
• α: 90°
• β: 104.587 ± 0.002°
• γ: 90°
• Cell volume: 1131.87 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No