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Information card for entry 7160407
Preview
| Coordinates | 7160407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H23 Cl O |
|---|---|
| Calculated formula | C31 H23 Cl O |
| Title of publication | Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to skipped 1,4-dienes |
| Authors of publication | Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 14.6422 ± 0.0008 Å |
| b | 12.5662 ± 0.0006 Å |
| c | 26.0642 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4795.7 ± 0.4 Å3 |
| Cell temperature | 292 ± 4 K |
| Ambient diffraction temperature | 292 ± 4 K |
| Number of distinct elements | 4 |
| 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298455 (current) | 2025-03-15 | cif/ Adding structures of 7160406, 7160407, 7160408, 7160409, 7160410 via cif-deposit CGI script. |
7160407.cif |
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Users of the data should acknowledge the original authors of the
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