Information card for entry 4109154

Structure parameters

• Formula: C16 H21 Br O
• Calculated formula: C16 H21 Br O
• Title of publication: Palladium-Catalyzed Enantioselective Cyclization of Silyloxy-1,6-Enynes
• Authors of publication: Britton K. Corkey; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2764 - 2765
• a: 10.06 ± 0.004 Å
• b: 7.049 ± 0.003 Å
• c: 10.34 ± 0.004 Å
• α: 90°
• β: 93.678 ± 0.006°
• γ: 90°
• Cell volume: 731.7 ± 0.5 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No