Information card for entry 2007503
| Formula |
C17 H15 N3 |
| Calculated formula |
C17 H15 N3 |
| SMILES |
n12c3CCCCCc3cc(c2nc2ccccc12)C#N |
| Title of publication |
2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile |
| Authors of publication |
Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Pages of publication |
1107 - 1109 |
| a |
8.105 ± 0.004 Å |
| b |
9.292 ± 0.004 Å |
| c |
10.283 ± 0.004 Å |
| α |
109.67 ± 0.03° |
| β |
102.76 ± 0.03° |
| γ |
107.14 ± 0.02° |
| Cell volume |
651.3 ± 0.5 Å3 |
| Cell temperature |
143 ± 2 K |
| Ambient diffraction temperature |
143 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.055 |
| Weighted residual factors for significantly intense reflections |
0.096 |
| 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/2007503.html
