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Information card for entry 1574362
Preview
Coordinates | 1574362.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H24 O2 |
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Calculated formula | C22 H24 O2 |
SMILES | O1CC(=CC[C@@H]1C(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1 |
Title of publication | Enantioselective [5 + 1] cycloaddition of sulfur ylides and vinylethylene carbonates via synergistic palladium/chiral phosphonic acid catalysis |
Authors of publication | Ke, Miaolin; Zheng, Jinying; Zong, Jiayi; Tang, Keshuang; Wang, Jiahao; Zheng, Guohui; Zhang, Boxuan; Cheng, Dang; Ju, Zhiran; Chen, Fener |
Journal of publication | Chemical Science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 8108 - 8113 |
a | 7.7868 ± 0.0001 Å |
b | 10.9259 ± 0.0002 Å |
c | 21.3967 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1820.38 ± 0.05 Å3 |
Cell temperature | 220 K |
Ambient diffraction temperature | 220 K |
Number of distinct elements | 3 |
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 | 0.096 |
Residual factor for significantly intense reflections | 0.0739 |
Weighted residual factors for significantly intense reflections | 0.1845 |
Weighted residual factors for all reflections included in the refinement | 0.2207 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300646 (current) | 2025-07-06 | cif/ Updating files of 1574362 Original log message: Adding full bibliography for 1574362.cif. |
1574362.cif |
299216 | 2025-04-09 | cif/ Adding structures of 1574362 via cif-deposit CGI script. |
1574362.cif |
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Users of the data should acknowledge the original authors of the
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