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Information card for entry 2242458
Preview
| Coordinates | 2242458.cif |
|---|---|
| Structure factors | 2242458.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4b<i>S</i>,8a<i>R</i>)-1-Isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
|---|---|
| Formula | C22 H28 O3 |
| Calculated formula | C22 H28 O3 |
| Title of publication | Crystal structure of (4b<i>S</i>,8a<i>R</i>)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate |
| Authors of publication | Laamari, Yassine; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Auhmani, Aziz; Ketatni, El Mostafa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 728 - 730 |
| a | 7.4103 ± 0.0002 Å |
| b | 10.4681 ± 0.0003 Å |
| c | 12.8121 ± 0.0003 Å |
| α | 90° |
| β | 102.235 ± 0.001° |
| γ | 90° |
| Cell volume | 971.28 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207551 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 2242458 via cif-deposit CGI script. |
2242458.cif 2242458.hkl |
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Users of the data should acknowledge the original authors of the
structural data.