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Information card for entry 4025967
Preview
Coordinates | 4025967.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Diethyl r-4-benzoyl-t-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate |
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Formula | C29 H28 O6 |
Calculated formula | C29 H28 O6 |
SMILES | c1ccccc1[C@@H]1O[C@H](C([C@@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccccc1.c1ccccc1[C@H]1O[C@@H](C([C@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccccc1 |
Title of publication | AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans |
Authors of publication | Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 229 - 233 |
a | 19.5178 ± 0.0019 Å |
b | 8.2127 ± 0.0008 Å |
c | 15.4641 ± 0.0015 Å |
α | 90° |
β | 95.498 ± 0.001° |
γ | 90° |
Cell volume | 2467.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0791 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025967.html
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