Information card for entry 7062036
| Formula |
C15 H23 F3 O2 |
| Calculated formula |
C15 H23 F2.997 O2 |
| Title of publication |
New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity |
| Authors of publication |
Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A. |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2022 |
| Journal volume |
46 |
| Journal issue |
48 |
| Pages of publication |
23165 - 23172 |
| a |
9.4232 ± 0.0003 Å |
| b |
10.9758 ± 0.0004 Å |
| c |
15.1715 ± 0.0006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1569.15 ± 0.1 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0874 |
| Residual factor for significantly intense reflections |
0.0553 |
| Weighted residual factors for significantly intense reflections |
0.1382 |
| Weighted residual factors for all reflections included in the refinement |
0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7062036.html
