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Information card for entry 7160534
Preview
| Coordinates | 7160534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Br O3 |
|---|---|
| Calculated formula | C15 H17 Br O3 |
| Title of publication | Divergent synthetic studies towards bisabosqual A and fargenone B via an intramolecular SN2 reaction |
| Authors of publication | Guo, Chen; Zhu, Mao-Mei; Ze Lang, Si-Ji; Wang, Ya-Wen; Xiao, Jian; Peng, Yu |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.81899 ± 0.00016 Å |
| b | 9.17658 ± 0.00016 Å |
| c | 15.266 ± 0.0003 Å |
| α | 90° |
| β | 101.939 ± 0.0017° |
| γ | 90° |
| Cell volume | 1345.78 ± 0.04 Å3 |
| Cell temperature | 149.97 ± 0.1 K |
| Ambient diffraction temperature | 149.97 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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 |
|---|---|---|---|
| 299572 (current) | 2025-05-08 | cif/ Adding structures of 7160532, 7160533, 7160534 via cif-deposit CGI script. |
7160534.cif |
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Users of the data should acknowledge the original authors of the
structural data.