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Information card for entry 1555339
Preview
| Coordinates | 1555339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 O3 |
|---|---|
| Calculated formula | C22 H28 O3 |
| SMILES | O1c2c([C@H]3[C@H]4[C@@]1(CC[C@H]4[C@]3(CC(=O)C=C(C)C)C)C)c(O)cc(c2)C |
| Title of publication | Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum. |
| Authors of publication | Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5040 - 5043 |
| a | 11.3754 ± 0.0001 Å |
| b | 11.9359 ± 0.0001 Å |
| c | 14.185 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1925.98 ± 0.03 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238511 (current) | 2019-11-24 | cif/ Adding structures of 1555339 via cif-deposit CGI script. |
1555339.cif |
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Users of the data should acknowledge the original authors of the
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