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Information card for entry 1552672
Preview
| Coordinates | 1552672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 O6 |
|---|---|
| Calculated formula | C21 H25 O6 |
| SMILES | O.O[C@@H](/C=C/[C@@H]1OC(=O)C2=CC[C@]3([C@]4(O)C(OC[C@@H]4C[C@H]3[C@@]2(C1)C)=C)C)C |
| Title of publication | Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri. |
| Authors of publication | Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 6 |
| Pages of publication | 1405 - 1411 |
| a | 6.4985 ± 0.0003 Å |
| b | 12.2997 ± 0.0006 Å |
| c | 11.3759 ± 0.0006 Å |
| α | 90° |
| β | 105.409 ± 0.002° |
| γ | 90° |
| Cell volume | 876.59 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1141 |
| Residual factor for significantly intense reflections | 0.1091 |
| Weighted residual factors for significantly intense reflections | 0.3269 |
| Weighted residual factors for all reflections included in the refinement | 0.337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.575 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222197 (current) | 2019-11-04 | cif/ Adding structures of 1552672 via cif-deposit CGI script. |
1552672.cif |
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Users of the data should acknowledge the original authors of the
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