Information card for entry 1556173

Structure parameters

• Formula: C23 H21 Br O
• Calculated formula: C23 H21 Br O
• Title of publication: Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.
• Authors of publication: Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3226 - 3229
• a: 10.0001 ± 0.0003 Å
• b: 10.0316 ± 0.0004 Å
• c: 19.1693 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.01 ± 0.11 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No