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Information card for entry 1543508
Preview
| Coordinates | 1543508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N O4 |
|---|---|
| Calculated formula | C20 N O4 |
| SMILES | O1[C@H]([C@@](c2c(=O)c(c[nH]c12)c1ccccc1)(C)[C@@H](O)OC)/C(=C/C)C |
| Title of publication | Cladobotryal: a Fungal Metabolite with a Novel Ring System |
| Authors of publication | Breinholt, Jens; Jensen, Helle C.; Kjaer, Anders; Olsen, Carl E.; Rassing, Birgitte R.; Rosendahl, Connie N.; Sotofte, Inger |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1998 |
| Journal volume | 52 |
| Pages of publication | 631 - 634 |
| a | 19.678 ± 0.006 Å |
| b | 19.678 ± 0.006 Å |
| c | 13.192 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4424 ± 3 Å3 |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.3206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183883 (current) | 2016-06-23 | cif/ Adding structures of 1543508 via cif-deposit CGI script. |
1543508.cif |
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Users of the data should acknowledge the original authors of the
structural data.