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Information card for entry 7160537
Preview
| Coordinates | 7160537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Br2 O3 |
|---|---|
| Calculated formula | C18 H18 Br2 O3 |
| Title of publication | Synthetic studies towards xanthomonadin. |
| Authors of publication | Hsieh, Min-Tsang; Lin, Hui-Chang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 6.4686 ± 0.0003 Å |
| b | 9.6305 ± 0.0005 Å |
| c | 14.1364 ± 0.0006 Å |
| α | 83.716 ± 0.004° |
| β | 83.816 ± 0.004° |
| γ | 87.352 ± 0.004° |
| Cell volume | 869.73 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299588 (current) | 2025-05-09 | cif/ Adding structures of 7160536, 7160537 via cif-deposit CGI script. |
7160537.cif |
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Users of the data should acknowledge the original authors of the
structural data.