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Information card for entry 8107039
Preview
| Coordinates | 8107039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 O6 |
|---|---|
| Calculated formula | C22 H30 O6 |
| Title of publication | Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6 |
| Authors of publication | Liu, Ya-Hua; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 891 - 892 |
| a | 5.979 ± 0.004 Å |
| b | 16.735 ± 0.012 Å |
| c | 20.323 ± 0.015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2033 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0888 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282394 (current) | 2023-04-05 | cif/ Adding structures of 8107039 via cif-deposit CGI script. |
8107039.cif |
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Users of the data should acknowledge the original authors of the
structural data.