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Information card for entry 1557786
Preview
| Coordinates | 1557786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H36 O5 |
|---|---|
| Calculated formula | C21 H36 O5 |
| SMILES | O[C@@H]1C[C@H]2[C@]3([C@H](CC[C@]42C[C@@H](O)[C@@]1(C4)C)[C@](C(=O)O)(CCC3)C)C.OC |
| Title of publication | Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata. |
| Authors of publication | Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming |
| Journal of publication | Journal of agricultural and food chemistry |
| Year of publication | 2020 |
| a | 6.7541 ± 0.0008 Å |
| b | 13.6991 ± 0.0017 Å |
| c | 21.781 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2015.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0471 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250724 (current) | 2020-04-14 | cif/ Adding structures of 1557786 via cif-deposit CGI script. |
1557786.cif |
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Users of the data should acknowledge the original authors of the
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