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Information card for entry 4519238
Preview
Coordinates | 4519238.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4p |
---|---|
Formula | C14 H17 Br N4 O2 |
Calculated formula | C14 H17 Br N4 O2 |
Title of publication | Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution |
Authors of publication | Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 877 - 891 |
a | 12.1856 ± 0.0004 Å |
b | 6.3673 ± 0.0002 Å |
c | 21.5285 ± 0.0007 Å |
α | 90° |
β | 103.252 ± 0.002° |
γ | 90° |
Cell volume | 1625.9 ± 0.09 Å3 |
Cell temperature | 149.99 K |
Ambient diffraction temperature | 149.99 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519238.html
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