Information card for entry 1502334

Structure parameters

• Formula: C24 H17 Br O3
• Calculated formula: C24 H17 Br O3
• SMILES: Brc1c([C@H]2CC(=O)OC(=C2C(=O)c2ccccc2)c2ccccc2)cccc1
• Title of publication: Enantioselective N-heterocyclic carbene-catalyzed Michael addition to α,β-unsaturated aldehydes by redox oxidation.
• Authors of publication: Rong, Zi-Qiang; Jia, Min-Qiang; You, Shu-Li
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4080 - 4083
• a: 7.6826 ± 0.0007 Å
• b: 11.6731 ± 0.0011 Å
• c: 21.484 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.7 ± 0.3 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: 0.0334
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No