Information card for entry 4501439
| Formula |
C15 H15 N3 O S |
| Calculated formula |
C15 H15 N3 O S |
| SMILES |
N1C2(SC(Nc3ccc(cc3)C)=C(C1=O)C#N)CCC2 |
| Title of publication |
Diversity-oriented synthesis of spiro-substituted 1,3-thiazine library via a one-pot, two-step, three-component reaction. |
| Authors of publication |
Zhuang, Qi-Ya; Wang, Xiang; Gao, Yuan; Shi, Feng; Jiang, Bo; Tu, Shu-Jiang |
| Journal of publication |
ACS combinatorial science |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
1 |
| Pages of publication |
84 - 88 |
| a |
6.4434 ± 0.0006 Å |
| b |
11.249 ± 0.0012 Å |
| c |
11.3527 ± 0.0014 Å |
| α |
115.042 ± 0.002° |
| β |
104.481 ± 0.001° |
| γ |
94.405 ± 0.001° |
| Cell volume |
706.01 ± 0.13 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 |
0.079 |
| Residual factor for significantly intense reflections |
0.0518 |
| Weighted residual factors for significantly intense reflections |
0.1226 |
| Weighted residual factors for all reflections included in the refinement |
0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4501439.html
