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Information card for entry 1571944
Preview
| Coordinates | 1571944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H30 O4 |
|---|---|
| Calculated formula | C28.997 H29.995 O4 |
| 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 | 19.1851 ± 0.0006 Å |
| b | 7.8229 ± 0.0002 Å |
| c | 31.2872 ± 0.0011 Å |
| α | 90° |
| β | 90.51 ± 0.003° |
| γ | 90° |
| Cell volume | 4695.5 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1571944.cif |
| 292468 | 2024-06-20 | cif/ Adding structures of 1571943, 1571944, 1571945, 1571946, 1571947, 1571948, 1571949, 1571950 via cif-deposit CGI script. |
1571944.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.