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Information card for entry 1548837
Preview
| Coordinates | 1548837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Br2 O5 |
|---|---|
| Calculated formula | C18 H24.0008 Br2 O5 |
| Title of publication | Halogenated C15 Acetogenin Analogues of Obtusallene III from a Laurenciella sp. Collected in Corsica |
| Authors of publication | Sutour, Sylvain; Therrien, Bruno; von Reuss, Stephan H.; Tomi, Félix |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2018 |
| a | 4.7521 ± 0.0003 Å |
| b | 25.2432 ± 0.0016 Å |
| c | 17.1496 ± 0.0011 Å |
| α | 90° |
| β | 90.701 ± 0.005° |
| γ | 90° |
| Cell volume | 2057.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.139 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205922 (current) | 2018-01-31 | cif/ Adding structures of 1548837 via cif-deposit CGI script. |
1548837.cif |
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Users of the data should acknowledge the original authors of the
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