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Information card for entry 1571949
Preview
| Coordinates | 1571949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 Br O3 |
|---|---|
| Calculated formula | C19 H19 Br O3 |
| Title of publication | Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans. |
| Authors of publication | Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 30 |
| Pages of publication | 11783 - 11793 |
| a | 8.0674 ± 0.0003 Å |
| b | 10.0413 ± 0.0005 Å |
| c | 11.4509 ± 0.0005 Å |
| α | 90.265 ± 0.004° |
| β | 105.787 ± 0.004° |
| γ | 106.88 ± 0.004° |
| Cell volume | 850.63 ± 0.07 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0242 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 293772 (current) | 2024-08-05 | cif/ Updating files of 1571943, 1571944, 1571945, 1571946, 1571947, 1571948, 1571949, 1571950 Original log message: Adding full bibliography for 1571943--1571950.cif. |
1571949.cif |
| 292468 | 2024-06-20 | cif/ Adding structures of 1571943, 1571944, 1571945, 1571946, 1571947, 1571948, 1571949, 1571950 via cif-deposit CGI script. |
1571949.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.