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Information card for entry 7160561
Preview
| Coordinates | 7160561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 O3 |
|---|---|
| Calculated formula | C13 H16 O3 |
| Title of publication | Synthesis of the Tricyclic Skeleton of Aberrarone |
| Authors of publication | Sui, Guoqing; Song, Xiaoqing; Guo, Huihui; Xie, Xiaolan; Ren, Li; Zhou, Wenming; Hao, Hongdong |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.4757 ± 0.0017 Å |
| b | 11.538 ± 0.003 Å |
| c | 11.708 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1145 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299778 (current) | 2025-05-22 | cif/ Adding structures of 7160561, 7160562 via cif-deposit CGI script. |
7160561.cif |
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Users of the data should acknowledge the original authors of the
structural data.