Information card for entry 7151979

Structure parameters

• Formula: C25 H24 Br N O3
• Calculated formula: C25 H24 Br N O3
• SMILES: Brc1ccc([C@H]([C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)CC)CN(=O)=O)cc1
• Title of publication: Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.
• Authors of publication: Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 6211 - 6214
• a: 20.3125 ± 0.0012 Å
• b: 20.3125 ± 0.0012 Å
• c: 15.9673 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5705.4 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No