Information card for entry 4103565

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: O1[C@H]2[C@@]1(C[C@H]1O[C@H]([C@H]3[C@@H]1C(=C)CC[C@@H]3C(C)C)C(=O)CC2)C.O1[C@@H]2[C@]1(C[C@@H]1O[C@@H]([C@@H]3[C@H]1C(=C)CC[C@H]3C(C)C)C(=O)CC2)C
• 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: 11.642 ± 0.006 Å
• b: 7.337 ± 0.004 Å
• c: 20.65 ± 0.01 Å
• α: 90°
• β: 104.046 ± 0.007°
• γ: 90°
• Cell volume: 1711.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1139
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No