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Information card for entry 1534348
Preview
| Coordinates | 1534348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 O3 |
|---|---|
| Calculated formula | C20 H32 O3 |
| SMILES | OC(=O)/C=C(C)/CC[C@@]1(C)[C@@H]2CC[C@H]3O[C@@]3(C)[C@]2(C)CC[C@@H]1C |
| Title of publication | Labdane and Clerodane Diterpenoids from Colophospermum mopane. |
| Authors of publication | Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H. |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 10 |
| Pages of publication | 2494 - 2504 |
| a | 33.5582 ± 0.0015 Å |
| b | 7.4109 ± 0.0003 Å |
| c | 14.7554 ± 0.0007 Å |
| α | 90° |
| β | 97.8284 ± 0.0018° |
| γ | 90° |
| Cell volume | 3635.4 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9679 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1534348.cif |
| 170086 | 2015-11-06 | cif/ Updating files of 1534348 Original log message: Adding full bibliography for 1534348.cif. |
1534348.cif |
| 160968 | 2015-10-08 | cif/ Adding structures of 1534348 via cif-deposit CGI script. |
1534348.cif |
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Users of the data should acknowledge the original authors of the
structural data.