Information card for entry 4103566

Structure parameters

• Formula: C19 H30 O4
• Calculated formula: C19 H30 O4
• SMILES: [C@]12(CC[C@@H]([C@@](C[C@@H]3[C@H]4C(=C)CC[C@@H]([C@H]4[C@H]1O3)C(C)C)(C)O)O2)O.[C@@]12(CC[C@H]([C@](C[C@H]3[C@@H]4C(=C)CC[C@H]([C@@H]4[C@@H]1O3)C(C)C)(C)O)O2)O
• Title of publication: Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis
• Authors of publication: Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16380 - 16382
• a: 9.7581 ± 0.0016 Å
• b: 19.351 ± 0.003 Å
• c: 19.541 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3689.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No