Information card for entry 7155364

Structure parameters

• Chemical name: (R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene
• Formula: C15 H14 Br N O2
• Calculated formula: C15 H14 Br N O2
• SMILES: Brc1ccc([C@@H](c2ccc(C)cc2)CN(=O)=O)cc1
• Title of publication: A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.
• Authors of publication: Li, Ruikun; Wen, Zhongqing; Wu, Na
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 11080 - 11084
• a: 5.4842 ± 0.0015 Å
• b: 15.284 ± 0.004 Å
• c: 16.885 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1415.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No