Information card for entry 2010090
| Formula |
C23 H17 N5 O4 S |
| Calculated formula |
C23 H17 N5 O4 S |
| Title of publication |
A new class of substituted 1,2,4-triazolo-1,3,4-thiadiazepines |
| Authors of publication |
Thomas, L. M.; Ramasubbu, N.; Bhandary, K. K.; Shirdhara, K.; Holla, B. S. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1994 |
| Journal volume |
50 |
| Journal issue |
10 |
| Pages of publication |
1608 - 1612 |
| a |
6.755 ± 0.001 Å |
| b |
7.614 ± 0.001 Å |
| c |
21.537 ± 0.002 Å |
| α |
89.25 ± 0.01° |
| β |
88.82 ± 0.01° |
| γ |
78.95 ± 0.01° |
| Cell volume |
1086.9 ± 0.2 Å3 |
| Cell temperature |
298 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 significantly intense reflections |
0.043 |
| Weighted residual factors for significantly intense reflections |
0.054 |
| Goodness-of-fit parameter for significantly intense reflections |
1.513 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| 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/2010090.html
