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Information card for entry 2006235
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| Coordinates | 2006235.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C30 H46 O11 |
|---|---|
| Calculated formula | C31 H50 O11 |
| Title of publication | A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i> |
| Authors of publication | Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 6 |
| Pages of publication | 814 - 816 |
| a | 10.75 ± 0.002 Å |
| b | 26.735 ± 0.006 Å |
| c | 10.533 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3027.2 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 20 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 | 0.0679 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections | 0.137 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Goodness-of-fit parameter for significantly intense reflections | 2.38 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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