Information card for entry 4110325

Structure parameters

• Formula: C19 H36 O6
• Calculated formula: C19 H36 O6
• SMILES: O(C)[C@@H]1O[C@@H]([C@@H]([C@@H](O)[C@H]1C)C)CCC[C@H]1O[C@@H](OC)[C@@H]([C@H](O)[C@H]1C)C
• Title of publication: A Two-Directional Approach to a (-)-Dictyostatin C11-C23 Segment: Development of a Highly Diastereoselective, Kinetically-Controlled Meerwein-Ponndorf-Verley Reduction
• Authors of publication: Andrew K. Dilger; Vijay Gopalsamuthiram; Steven D. Burke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 16273 - 16277
• a: 7.927 ± 0.0003 Å
• b: 13.6459 ± 0.0005 Å
• c: 19.4939 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.68 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No