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Information card for entry 7231897
Preview
| Coordinates | 7231897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 O3 |
|---|---|
| Calculated formula | C22 H30 O3 |
| Title of publication | Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C |
| Authors of publication | Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 69 |
| Pages of publication | 39691 |
| a | 12.3071 ± 0.0007 Å |
| b | 19.3724 ± 0.0009 Å |
| c | 8.0124 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1910.3 ± 0.17 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212219 (current) | 2018-11-28 | cif/ Adding structures of 7231897 via cif-deposit CGI script. |
7231897.cif |
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Users of the data should acknowledge the original authors of the
structural data.