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Information card for entry 1518630
Preview
| Coordinates | 1518630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 O8 |
|---|---|
| Calculated formula | C34 H38 O8 |
| SMILES | O(C(=O)c1ccccc1)[C@H]1C[C@]2(O[C@]3([C@@H](O)[C@H](OC(=O)c4ccccc4)[C@]4(C(=CCC[C@@H]4[C@@]13C)C)C)C)COC(=O)C2 |
| Title of publication | neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication. |
| Authors of publication | Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 3 |
| Pages of publication | 500 - 509 |
| a | 9.67492 ± 0.00011 Å |
| b | 14.41358 ± 0.00014 Å |
| c | 20.6293 ± 0.00017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2876.76 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518630.cif |
| 134820 | 2015-04-04 | cif/ Updating files of 1518630, 1518631 Original log message: Adding full bibliography for 1518630--1518631.cif. |
1518630.cif |
| 130678 | 2015-02-04 | cif/ Adding structures of 1518630 via cif-deposit CGI script. |
1518630.cif |
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Users of the data should acknowledge the original authors of the
structural data.