Information card for entry 4514881
| Formula |
C17 H16 Br2 O5 |
| Calculated formula |
C17 H16 Br2 O5 |
| Title of publication |
Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy |
| Authors of publication |
Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao |
| Journal of publication |
ACS Catalysis |
| Year of publication |
2019 |
| Journal volume |
9 |
| Journal issue |
3 |
| Pages of publication |
1645 |
| a |
20.647 ± 0.0006 Å |
| b |
10.3884 ± 0.0002 Å |
| c |
17.2385 ± 0.0005 Å |
| α |
90° |
| β |
114.021 ± 0.004° |
| γ |
90° |
| Cell volume |
3377.26 ± 0.19 Å3 |
| Cell temperature |
169.99 ± 0.1 K |
| Ambient diffraction temperature |
169.99 ± 0.1 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 |
0.0625 |
| Residual factor for significantly intense reflections |
0.0528 |
| Weighted residual factors for significantly intense reflections |
0.1519 |
| Weighted residual factors for all reflections included in the refinement |
0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.093 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4514881.html
