Information card for entry 7126684
| Formula |
C25 H19 N O5 S |
| Calculated formula |
C25 H19 N O5 S |
| SMILES |
S(C(=O)c1ccc(c2ccccc2)cc1)c1c(c(n2c1cccc2)C(=O)OC)C(=O)OC |
| Title of publication |
Synthesis of indolizines from pyridinium 1,4-zwitterionic thiolates and α-functionalized bromoalkanes via a stepwise [(5+1)-1] pathway. |
| Authors of publication |
Cheng, Bin; Zhang, Xinping; Li, Yuntong; Li, Hui; He, Yixuan; Li, Yun; Wang, Taimin; Zhai, Hongbin |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
60 |
| Pages of publication |
8396 - 8399 |
| a |
9.2626 ± 0.0005 Å |
| b |
10.0278 ± 0.0006 Å |
| c |
12.623 ± 0.0007 Å |
| α |
77.431 ± 0.005° |
| β |
89.378 ± 0.004° |
| γ |
73.685 ± 0.005° |
| Cell volume |
1096.71 ± 0.11 Å3 |
| Cell temperature |
293.63 ± 0.13 K |
| Ambient diffraction temperature |
293.63 ± 0.13 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0661 |
| Residual factor for significantly intense reflections |
0.0593 |
| Weighted residual factors for significantly intense reflections |
0.1556 |
| Weighted residual factors for all reflections included in the refinement |
0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.066 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7126684.html
