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Information card for entry 4135385
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Coordinates | 4135385.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 Br N O2 |
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Calculated formula | C16 H16 Br N O2 |
Title of publication | Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant. |
Authors of publication | Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 50 |
Pages of publication | 20942 - 20947 |
a | 9.22979 ± 0.00012 Å |
b | 12.58246 ± 0.00017 Å |
c | 12.86856 ± 0.00016 Å |
α | 90° |
β | 91.0663 ± 0.0011° |
γ | 90° |
Cell volume | 1494.21 ± 0.03 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 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 | 0.0432 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1115 |
Weighted residual factors for all reflections included in the refinement | 0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4135385.html
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Users of the data should acknowledge the original authors of the
structural data.