Information card for entry 1560126
| Formula |
C25 H18 O2 |
| Calculated formula |
C25 H18 O2 |
| SMILES |
O=C(O)/C(=C/c1ccccc1)c1c2c(ccc1c1ccccc1)cccc2 |
| Title of publication |
Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C–H activation |
| Authors of publication |
Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| Journal volume |
12 |
| Journal issue |
10 |
| Pages of publication |
3726 - 3732 |
| a |
8.6935 ± 0.0002 Å |
| b |
11.1218 ± 0.0002 Å |
| c |
12.2142 ± 0.0002 Å |
| α |
87.376 ± 0.001° |
| β |
70.785 ± 0.002° |
| γ |
81.619 ± 0.001° |
| Cell volume |
1103.26 ± 0.04 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.0607 |
| Residual factor for significantly intense reflections |
0.0603 |
| Weighted residual factors for significantly intense reflections |
0.1552 |
| Weighted residual factors for all reflections included in the refinement |
0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
| Diffraction radiation wavelength |
1.54184 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/1560126.html
