Information card for entry 2001388
| Formula |
C11 H15 N O S |
| Calculated formula |
C11 H15 N O S |
| SMILES |
Cc1cc2c(o1)CC(CNC2=S)(C)C |
| Title of publication |
Structure of 2,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-furo[3,2-<i>c</i>]azepine-4-thione |
| Authors of publication |
Soriano-García, M.; Cortés C., E.; Cortés R., E.; Avila Z., J. G.; Domínguez T., A. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1993 |
| Journal volume |
49 |
| Journal issue |
9 |
| Pages of publication |
1637 - 1638 |
| a |
10.359 ± 0.005 Å |
| b |
10.861 ± 0.005 Å |
| c |
9.947 ± 0.004 Å |
| α |
91.89 ± 0.03° |
| β |
99.97 ± 0.04° |
| γ |
89.65 ± 0.04° |
| Cell volume |
1101.6 ± 0.9 Å3 |
| Cell temperature |
293 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 |
0.065 |
| Weighted residual factors for significantly intense reflections |
0.088 |
| Goodness-of-fit parameter for significantly intense reflections |
1.06 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2001388.html
