Information card for entry 2100846
| Chemical name |
1-hydroxy-8-morpholino-tricyclo[6.5.0.02,7]trideca-2,4,6-triene-13- -spiro-(2'-1',3'-dioxan) (compound 3) |
| Formula |
C20 H27 N O4 |
| Calculated formula |
C20 H27 N O4 |
| Title of publication |
Synthesis and structure of new bronchospasmolytic agents. II |
| Authors of publication |
Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mouaddib, A.; Caubère, P. |
| Journal of publication |
Acta Crystallographica Section B |
| Year of publication |
1992 |
| Journal volume |
48 |
| Journal issue |
5 |
| Pages of publication |
687 - 695 |
| a |
10.676 ± 0.004 Å |
| b |
13.31 ± 0.004 Å |
| c |
14.042 ± 0.002 Å |
| α |
99.09 ± 0.02° |
| β |
112.11 ± 0.02° |
| γ |
95.03 ± 0.03° |
| Cell volume |
1801.6 ± 1 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0389 |
| Weighted residual factors for significantly intense reflections |
0.0433 |
| Goodness-of-fit parameter for significantly intense reflections |
0.9398 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
XrayMoKalphamean |
| 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/2100846.html
