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Information card for entry 1559307
Preview
| Coordinates | 1559307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H22 O4 |
|---|---|
| Calculated formula | C13 H22 O4 |
| 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 | 5.9422 ± 0.0002 Å |
| b | 7.602 ± 0.0002 Å |
| c | 14.7513 ± 0.0004 Å |
| α | 90° |
| β | 101.005 ± 0.002° |
| γ | 90° |
| Cell volume | 654.1 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections | 0.1537 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0015 |
| 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. |
1559307.cif |
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Users of the data should acknowledge the original authors of the
structural data.