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Information card for entry 1559306
Preview
| Coordinates | 1559306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H21 Br O3 |
|---|---|
| Calculated formula | C15 H21 Br O3 |
| Title of publication | Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F |
| Authors of publication | Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 8.3606 ± 0.0003 Å |
| b | 13.1527 ± 0.0007 Å |
| c | 14.3775 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1581.01 ± 0.15 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 4 |
| 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections | 0.1267 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0121 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258262 (current) | 2020-10-09 | cif/ Adding structures of 1559304, 1559305, 1559306, 1559307 via cif-deposit CGI script. |
1559306.cif |
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Users of the data should acknowledge the original authors of the
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