Information card for entry 8104824
| Formula |
C15 H18 O2 |
| Calculated formula |
C15 H18 O2 |
| Title of publication |
Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2 |
| Authors of publication |
Tian, Kaixin; Wang, Yanhong; Xun, Miaomiao; Yuan, Changchun; Fu, Kai |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2021 |
| Journal volume |
236 |
| Journal issue |
2 |
| Pages of publication |
339 - 340 |
| a |
12.7072 ± 0.0005 Å |
| b |
11.2947 ± 0.0006 Å |
| c |
17.7857 ± 0.0007 Å |
| α |
90° |
| β |
95.807 ± 0.001° |
| γ |
90° |
| Cell volume |
2539.6 ± 0.2 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 K |
| Number of distinct elements |
3 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0877 |
| Residual factor for significantly intense reflections |
0.0606 |
| Weighted residual factors for significantly intense reflections |
0.1563 |
| Weighted residual factors for all reflections included in the refinement |
0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| 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/8104824.html
