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Information card for entry 7158362
Preview
| Coordinates | 7158362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 O4 |
|---|---|
| Calculated formula | C26 H28 O4 |
| Title of publication | Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations. |
| Authors of publication | Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 45 |
| Pages of publication | 9840 - 9843 |
| a | 20.8005 ± 0.0006 Å |
| b | 5.76195 ± 0.00016 Å |
| c | 37.1847 ± 0.0013 Å |
| α | 90° |
| β | 98.257 ± 0.003° |
| γ | 90° |
| Cell volume | 4410.4 ± 0.2 Å3 |
| Cell temperature | 293.32 ± 0.1 K |
| Ambient diffraction temperature | 293.32 ± 0.1 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 271231 (current) | 2021-12-07 | cif/ Updating files of 7158361, 7158362, 7158363 Original log message: Adding full bibliography for 7158361--7158363.cif. |
7158362.cif |
| 270175 | 2021-10-30 | cif/ Adding structures of 7158361, 7158362, 7158363 via cif-deposit CGI script. |
7158362.cif |
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Users of the data should acknowledge the original authors of the
structural data.