Information card for entry 7120924
| Formula |
C33 H30 N2 O5 S |
| Calculated formula |
C33 H30 N2 O5 S |
| SMILES |
N(=N\c1ccc(OC)cc1)/C(=C1\C(C(=O)c2c1cccc2)(C)CS(=O)(=O)c1ccc(OC)cc1)c1ccc(cc1)C |
| Title of publication |
Stereoselective synthesis of sulfonated 1-indenones via radical-triggered multi-component cyclization of β-alkynyl propenones. |
| Authors of publication |
Shen, Zheng-Jia; Wu, Ya-Nan; He, Chun-Lan; He, Long; Hao, Wen-Juan; Wang, Ai-Fang; Tu, Shu-Jiang; Jiang, Bo |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
5 |
| Pages of publication |
445 - 448 |
| a |
11.4008 ± 0.0012 Å |
| b |
12.9855 ± 0.0013 Å |
| c |
13.2123 ± 0.0015 Å |
| α |
64.982 ± 0.001° |
| β |
66.895 ± 0.001° |
| γ |
83.284 ± 0.002° |
| Cell volume |
1627.5 ± 0.3 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 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 |
0.1713 |
| Residual factor for significantly intense reflections |
0.0733 |
| Weighted residual factors for significantly intense reflections |
0.1792 |
| Weighted residual factors for all reflections included in the refinement |
0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7120924.html
