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Information card for entry 1573214
Preview
| Coordinates | 1573214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Br O3 |
|---|---|
| Calculated formula | C14 H13 Br O3 |
| Title of publication | Tandem Rh(II)-catalyzed 1,3-acyloxy migration/intermolecular [2+2] cycloaddition of electronically deficient propargylic esters with alkenes and alkynes |
| Authors of publication | Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 6.5459 ± 0.0006 Å |
| b | 7.4134 ± 0.0004 Å |
| c | 27.118 ± 0.003 Å |
| α | 90° |
| β | 96.115 ± 0.009° |
| γ | 90° |
| Cell volume | 1308.5 ± 0.2 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.1137 |
| Weighted residual factors for significantly intense reflections | 0.3452 |
| Weighted residual factors for all reflections included in the refinement | 0.3523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.595 |
| 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 |
|---|---|---|---|
| 296017 (current) | 2024-11-21 | cif/ Adding structures of 1573214, 1573215 via cif-deposit CGI script. |
1573214.cif |
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