Information card for entry 4103564

Structure parameters

• Formula: C16 H26 O2
• Calculated formula: C16 H26 O2
• SMILES: O1[C@@H](O)[C@@H]2[C@H](CCC(=C)[C@@H]2[C@H]1CC(=C)C)C(C)C.O1[C@H](O)[C@H]2[C@@H](CCC(=C)[C@H]2[C@@H]1CC(=C)C)C(C)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: 20.398 ± 0.007 Å
• b: 5.6912 ± 0.0019 Å
• c: 26.77 ± 0.009 Å
• α: 90°
• β: 112.062 ± 0.004°
• γ: 90°
• Cell volume: 2880.2 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No