Information card for entry 7158150
| Formula |
C25 H23 N O3 S2 |
| Calculated formula |
C25 H23 N O3 S2 |
| Title of publication |
Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones <i>via</i> the photochemical Doyle-Kirmse reaction. |
| Authors of publication |
Xie, Jianwei; Suleman, Muhammad; Wang, Zaibin; Mao, Xinfei; Mao, Beibei; Fan, Jiale; Lu, Ping; Wang, Yanguang |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2021 |
| Journal volume |
19 |
| Journal issue |
28 |
| Pages of publication |
6341 - 6345 |
| a |
9.009 ± 0.002 Å |
| b |
9.253 ± 0.003 Å |
| c |
13.987 ± 0.004 Å |
| α |
106.407 ± 0.011° |
| β |
94.581 ± 0.011° |
| γ |
91.51 ± 0.013° |
| Cell volume |
1113.4 ± 0.5 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 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 |
0.0324 |
| Residual factor for significantly intense reflections |
0.031 |
| Weighted residual factors for significantly intense reflections |
0.0816 |
| Weighted residual factors for all reflections included in the refinement |
0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7158150.html
