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Information card for entry 7160532
Preview
| Coordinates | 7160532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O3 |
|---|---|
| Calculated formula | C16 H22 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 | 15.757 ± 0.0002 Å |
| b | 10.1218 ± 0.0001 Å |
| c | 18.1651 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2897.14 ± 0.06 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
7160532.cif |
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Users of the data should acknowledge the original authors of the
structural data.