Information card for entry 4518903
Formula |
C8 H6 N2 O2 |
Calculated formula |
C8 H6 N2 O2 |
Title of publication |
Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer |
Authors of publication |
Wu, Cunluo; Bian, Qilong; Ding, Tao; Tang, Mingming; Zhang, Wenkai; Xu, Yuanqing; Liu, Baoying; Xu, Hao; Li, Hai-Bei; Fu, Hua |
Journal of publication |
ACS Catalysis |
Year of publication |
2021 |
Pages of publication |
9561 - 9568 |
a |
8.4501 ± 0.0015 Å |
b |
5.9208 ± 0.001 Å |
c |
15.748 ± 0.003 Å |
α |
90° |
β |
99.991 ± 0.008° |
γ |
90° |
Cell volume |
775.9 ± 0.2 Å3 |
Cell temperature |
298.15 K |
Ambient diffraction temperature |
298.15 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 |
0.0598 |
Residual factor for significantly intense reflections |
0.0579 |
Weighted residual factors for significantly intense reflections |
0.1499 |
Weighted residual factors for all reflections included in the refinement |
0.1529 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.094 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/4518903.html