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Information card for entry 1553288
Preview
| Coordinates | 1553288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 O2 |
|---|---|
| Calculated formula | C15 H22 O2 |
| SMILES | C1(=O)C[C@H]([C@@]2(C[C@]3(CCC2=C1)C(C)(C)O3)C)C |
| Title of publication | Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots. |
| Authors of publication | Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 9 |
| Pages of publication | 2175 - 2180 |
| a | 5.8324 ± 0.0007 Å |
| b | 12.9306 ± 0.0014 Å |
| c | 17.55 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1323.6 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234058 (current) | 2019-11-23 | cif/ Adding structures of 1553288 via cif-deposit CGI script. |
1553288.cif |
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Users of the data should acknowledge the original authors of the
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