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Information card for entry 1557038
Preview
| Coordinates | 1557038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 O4 |
|---|---|
| Calculated formula | C20 O4 |
| SMILES | O[C@@]1([C@@H]2[C@@H]3O[C@]4(O[C@@]([C@H]2[C@H](O)C1)(CC4)C)C(=C)CC[C@H]3C(C)C)C |
| Title of publication | Tobacco Chemistry. 83. Four New Cyclized Cembranoids from Tobacco |
| Authors of publication | Eklund, Ann-Marie; Forsblom, Ingrid; Berg, Jan-Eric; Damberg, Charlotta; Wahlberg, Inger |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1998 |
| Journal volume | 52 |
| Pages of publication | 1254 - 1262 |
| a | 9.3134 ± 0.0004 Å |
| b | 11.3699 ± 0.0014 Å |
| c | 17.7933 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1884.2 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246814 (current) | 2020-01-14 | cif/ Adding structures of 1557038 via cif-deposit CGI script. |
1557038.cif |
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Users of the data should acknowledge the original authors of the
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