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Information card for entry 7112938
Preview
Coordinates | 7112938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 Br N O2 S |
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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 Å3 |
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 |
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