Information card for entry 7112938

Structure parameters

• Formula: C20 H26 Br N O2 S
• Calculated formula: C20 H26 Br N O2 S
• SMILES: Brc1ccc([C@H]([C@@H](NS(=O)C(C)(C)C)c2ccccc2)C=C)cc1.O
• Title of publication: Dramatic lithium chloride effect on the reaction stereocontrol in Zn-mediated asymmetric cinnamylation: highly practical synthesis of β-aryl homoallylic amines.
• Authors of publication: Liu, Min; Shen, An; Sun, Xing-Wen; Deng, Fei; Xu, Ming-Hua; Lin, Guo-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8460 - 8462
• a: 6.7852 ± 0.0008 Å
• b: 16.4229 ± 0.0018 Å
• c: 19.812 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2207.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1446
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No