Information card for entry 7158688
| Formula |
C27 H20 Cl3 N3 O2 S |
| Calculated formula |
C27 H20 Cl3 N3 O2 S |
| Title of publication |
Highly Diastereoselective Synthesis of Benzothiazolo[3,2-a]pyridines via [4 + 2] Annulation Reaction of 2-Vinylbenzothiazoles and Azlactones |
| Authors of publication |
Pan, Bin; Li, Ao; Liu, Dong; Ni, QingShan; Liang, Wu; Du, Fei; Gu, Jing; ouyang, qin |
| Journal of publication |
Organic & Biomolecular Chemistry |
| Year of publication |
2022 |
| a |
10.2432 ± 0.0006 Å |
| b |
11.1049 ± 0.0006 Å |
| c |
11.684 ± 0.0006 Å |
| α |
72.079 ± 0.005° |
| β |
78.101 ± 0.005° |
| γ |
83.806 ± 0.005° |
| Cell volume |
1235.98 ± 0.12 Å3 |
| Cell temperature |
295 ± 2 K |
| Ambient diffraction temperature |
295 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0642 |
| Residual factor for significantly intense reflections |
0.0437 |
| Weighted residual factors for significantly intense reflections |
0.1011 |
| Weighted residual factors for all reflections included in the refinement |
0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation probe |
x-ray |
| 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/7158688.html
