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Information card for entry 1566784
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Coordinates | 1566784.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H26 Br N3 O |
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Calculated formula | C20 H26 Br N3 O |
Title of publication | Site-Selective Coupling of Remote C(sp3)−H/meta-C(sp2)−H Bonds Enabled by Ru/Photoredox Dual Catalysis and Mechanistic Studies |
Authors of publication | Liu, Hong-Chao; Kong, Xiangtao; Gong, Xiao-Ping; Li, Yuke; Niu, Zhi-Jie; Gou, Xue-Ya; Li, Xue-Song; Wang, Yu-Zhao; Shi, Wei-Yu; Huang, Yan-Chong; Liu, Xue-Yuan; Liang, Yong-Min |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 6.36816 ± 0.00005 Å |
b | 31.0073 ± 0.0003 Å |
c | 10.01092 ± 0.00009 Å |
α | 90° |
β | 97.3165 ± 0.0008° |
γ | 90° |
Cell volume | 1960.66 ± 0.03 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0283 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.