Information card for entry 4121990

Structure parameters

• Formula: C15 H19 Br O2
• Calculated formula: C15 H19 Br O2
• SMILES: C1(C)(C)O[C@H]([C@](CO1)(C=C)C)c1ccc(cc1)Br
• Title of publication: Redox-Triggered C-C Coupling of Alcohols and Vinyl Epoxides: Diastereo- and Enantioselective Formation of All-Carbon Quaternary Centers via tert-(Hydroxy)-Prenylation.
• Authors of publication: Feng, Jiajie; Garza, Victoria J.; Krische, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 25
• Pages of publication: 8911 - 8914
• a: 7.051 ± 0.003 Å
• b: 12.646 ± 0.005 Å
• c: 16.338 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0209
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No