Information card for entry 7129925
| Formula |
C10 H5 Br O4 |
| Calculated formula |
C10 H6 Br O4 |
| Title of publication |
Facile access to chiral chromanone-2-carboxylic acids enabled by Rhodium-catalyzed chemo- and enantioselective hydrogenation |
| Authors of publication |
Nie, Zhuang; Liu, Song; Wang, Tonglin; Shen, Zhanhong; Nie, Huifang; Xi, Jiayue; Zhang, Dongxu; Zheng, Xiao Hui; Zhang, Shengyong; Yao, Lin |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
5.1151 ± 0.0004 Å |
| b |
10.238 ± 0.0007 Å |
| c |
10.7004 ± 0.0008 Å |
| α |
61.559 ± 0.002° |
| β |
86.409 ± 0.002° |
| γ |
78.824 ± 0.002° |
| Cell volume |
483.1 ± 0.06 Å3 |
| Cell temperature |
195 ± 2 K |
| Ambient diffraction temperature |
195 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0624 |
| Residual factor for significantly intense reflections |
0.0623 |
| Weighted residual factors for significantly intense reflections |
0.1685 |
| Weighted residual factors for all reflections included in the refinement |
0.1685 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.274 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7129925.html
