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Information card for entry 4032972
Preview
Coordinates | 4032972.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H18 Br N O |
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Calculated formula | C25 H18 Br N O |
SMILES | Brc1ccc(N2C(c3c4c(cccc4)c(C)cc3)c3c(C2=O)cccc3)cc1 |
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 | 8.8342 ± 0.0015 Å |
b | 10.3235 ± 0.0018 Å |
c | 11.2424 ± 0.0019 Å |
α | 90.781 ± 0.004° |
β | 107.441 ± 0.004° |
γ | 101.41 ± 0.004° |
Cell volume | 955.9 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.1723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/4032972.html
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