Information card for entry 4118125

Structure parameters

• Common name: (2S,4R,5S)-4-((S)-[1,1'-biphenyl]-4-yl(hydroxy)methyl) -5-ethyl-2-methyl-2-phenylcyclopentane-1,3-dione
• Formula: C27 H26 O3
• Calculated formula: C27 H26 O3
• Title of publication: Copper(I)-Catalyzed Asymmetric Desymmetrization: Synthesis of Five-Membered-Ring Compounds Containing All-Carbon Quaternary Stereocenters
• Authors of publication: Kohsuke Aikawa; Tatsuya Okamoto; Koichi Mikami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10329 - 10332
• a: 10.435 ± 0.0007 Å
• b: 8.3916 ± 0.0006 Å
• c: 24.2782 ± 0.0016 Å
• α: 90°
• β: 91.363 ± 0.002°
• γ: 90°
• Cell volume: 2125.4 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No