Information card for entry 7062035
| Formula |
C17 H27 F3 O2 |
| Calculated formula |
C17 H27 F3 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 |
22.1155 ± 0.0011 Å |
| b |
8.7469 ± 0.0004 Å |
| c |
8.971 ± 0.0004 Å |
| α |
90° |
| β |
102.75 ± 0.0015° |
| γ |
90° |
| Cell volume |
1692.58 ± 0.14 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
5 |
| Hermann-Mauguin space group symbol |
C 1 2 1 |
| Hall space group symbol |
C 2y |
| Residual factor for all reflections |
0.0469 |
| Residual factor for significantly intense reflections |
0.0353 |
| Weighted residual factors for significantly intense reflections |
0.0817 |
| Weighted residual factors for all reflections included in the refinement |
0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7062035.html
