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Information card for entry 4032969
Preview
Coordinates | 4032969.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N0 O3 |
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Calculated formula | C27 H26 O3 |
SMILES | [C@@H]1(c2ccc(cc2)C(=O)OCC)[C@@H](c2c(cc(cc2C)C)C)c2c(C1=O)cccc2.[C@H]1(c2ccc(cc2)C(=O)OCC)[C@H](c2c(cc(cc2C)C)C)c2c(C1=O)cccc2 |
Title of publication | Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts. |
Authors of publication | Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 11084 - 11090 |
a | 8.439 ± 0.002 Å |
b | 22.732 ± 0.006 Å |
c | 12.15 ± 0.003 Å |
α | 90° |
β | 115.339 ± 0.013° |
γ | 90° |
Cell volume | 2106.6 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1194 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2165 |
Weighted residual factors for all reflections included in the refinement | 0.2501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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