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Information card for entry 1547528
Preview
Coordinates | 1547528.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H22 Br Cl N2 O6 S |
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Calculated formula | C27 H22 Br Cl N2 O6 S |
SMILES | Brc1ccc(cc1)C1=C[C@H]([C@@H](N1S(=O)(=O)c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCC)c1ccc(Cl)cc1.Brc1ccc(cc1)C1=C[C@@H]([C@H](N1S(=O)(=O)c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCC)c1ccc(Cl)cc1 |
Title of publication | Enantioselective [4 + 1]-Annulation of α,β-Unsaturated Imines with Allylic Carbonates Catalyzed by a Hybrid P-Chiral Phosphine Oxide-Phosphine. |
Authors of publication | Li, Hanyuan; Luo, Jiesi; Li, Bojuan; Yi, Xizhen; He, Zhengjie |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 20 |
Pages of publication | 5637 - 5640 |
a | 7.762 ± 0.006 Å |
b | 12.126 ± 0.009 Å |
c | 14.58 ± 0.012 Å |
α | 100.941 ± 0.009° |
β | 98.338 ± 0.015° |
γ | 93.2 ± 0.011° |
Cell volume | 1328.2 ± 1.8 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113.15 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0676 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547528.html
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Users of the data should acknowledge the original authors of the
structural data.