Information card for entry 4117205

Structure parameters

• Common name: 1-9-(10-Bromoanthracenyl)-ethanediol
• Formula: C16 H13 Br O2
• Calculated formula: C16 H13 Br O2
• SMILES: OC[C@@H](c1c2ccccc2c(Br)c2ccccc12)O
• 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: 5.388 ± 0.001 Å
• b: 16.063 ± 0.003 Å
• c: 47.049 ± 0.009 Å
• α: 90°
• β: 90.01 ± 0.03°
• γ: 90°
• Cell volume: 4072 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2887
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections: 0.3475
• Weighted residual factors for significantly intense reflections: 0.2131
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No