Information card for entry 2005727
Chemical name |
3,7-(Di-2-thienyl)-1,5,2,4,6,8-dithiatetrazocine |
Formula |
C10 H6 N4 S4 |
Calculated formula |
C10 H6 N4 S4 |
Title of publication |
3,7-Bis(2-thienyl)-1,5,2,4,6,8-dithiatetrazocine |
Authors of publication |
Barclay, T. M.; Cordes, A. W.; Oakley, R. T.; Preuss, K. E. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1996 |
Journal volume |
52 |
Journal issue |
12 |
Pages of publication |
3250 - 3252 |
a |
6.9888 ± 0.001 Å |
b |
5.6836 ± 0.0005 Å |
c |
16.019 ± 0.002 Å |
α |
90° |
β |
101.822 ± 0.011° |
γ |
90° |
Cell volume |
622.8 ± 0.13 Å3 |
Cell temperature |
293 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.035 |
Residual factor for significantly intense reflections |
0.035 |
Weighted residual factors for all reflections |
0.059 |
Weighted residual factors for significantly intense reflections |
0.059 |
Goodness-of-fit parameter for significantly intense reflections |
1.05 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MolybdenumKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2005727.html