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Information card for entry 4028283
Preview
Coordinates | 4028283.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Diethyl r-4-benzoyl-t-2-(2,4-dichlorophenyl)-t-5-phenyltetrahydrofuran -3,3-dicarboxylate |
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Formula | C29 H26 Cl2 O6 |
Calculated formula | C29 H26 Cl2 O6 |
SMILES | c1ccccc1[C@@H]1O[C@@H](C([C@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccc(Cl)cc1Cl.c1ccccc1[C@H]1O[C@H](C([C@@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccc(Cl)cc1Cl |
Title of publication | cis-2,3-Disubstituted Cyclopropane 1,1-Diesters in [3 + 2] Annulations with Aldehydes: Highly Diastereoselective Construction of Densely Substituted Tetrahydrofurans |
Authors of publication | Gaosheng Yang; Yongxian Sun; Yue Shen; Zhuo Chai; Shuangliu Zhou; Jiang Chu; Jun Chai |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 5393 - 5400 |
a | 8.3298 ± 0.0011 Å |
b | 11.5891 ± 0.0015 Å |
c | 15.56 ± 0.002 Å |
α | 69.581 ± 0.002° |
β | 87.931 ± 0.002° |
γ | 77.008 ± 0.002° |
Cell volume | 1370.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0843 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1873 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4028283.html
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Users of the data should acknowledge the original authors of the
structural data.