Information card for entry 4109188

Structure parameters

• Chemical name: 6-methyl-1-phenyl-7-vinyl-8-oxabicyclo[3.2.1]octane
• Formula: C16 H20 O
• Calculated formula: C16 H20 O
• SMILES: O1[C@]2(CCC[C@@H]1[C@@H]([C@H]2C=C)C)c1ccccc1
• Title of publication: Simple, Stable, and Versatile Double-Allylation Reagents for the Stereoselective Preparation of Skeletally Diverse Compounds
• Authors of publication: Feng Peng; Dennis G. Hall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3070 - 3071
• a: 7.7032 ± 0.0005 Å
• b: 8.2335 ± 0.0005 Å
• c: 20.6614 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1310.43 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No