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Information card for entry 1552973
Preview
Coordinates | 1552973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 B Br N O P |
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Calculated formula | C20 H22 B Br N O P |
SMILES | Brc1ccc([C@@H]([P@]([BH3])(c2ccccc2)C)CC(=O)n2cccc2)cc1 |
Title of publication | Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds |
Authors of publication | Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang |
Journal of publication | Org. Chem. Front. |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 5 |
Pages of publication | 541 |
a | 6.2364 ± 0.0005 Å |
b | 17.7803 ± 0.0018 Å |
c | 18.9588 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2102.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0995 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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