Information card for entry 4117206

Structure parameters

• Common name: Dihydroxylation product of 14-Bromo 7
• Formula: C20 H15 Br O2
• Calculated formula: C20 H15 Br O2
• SMILES: OC1(c2c(cccc2)c2ccccc12)[C@H](O)c1ccc(Br)cc1
• Title of publication: A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins
• Authors of publication: E. J. Corey; Mark C. Noe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 11038 - 11053
• a: 14.597 ± 0.002 Å
• b: 20.56 ± 0.007 Å
• c: 22.004 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6604 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1544
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections: 0.2688
• Weighted residual factors for significantly intense reflections: 0.2248
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No