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Information card for entry 7131048
Preview
| Coordinates | 7131048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 Br2 O4 |
|---|---|
| Calculated formula | C11 H14 Br2 O4 |
| SMILES | BrC(Br)=C1C=C(C(OCCOC)(O1)C)C(=O)C |
| Title of publication | Palladium-catalyzed acetalization/cyclization of enynones with alcohols: rapid access to functionalized dihaloalkenyl dihydrofurans. |
| Authors of publication | Ma, Ruize; Chen, Yang; Fang, Songjia; Jiang, Huanfeng; Yang, Shaorong; Wu, Wanqing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2022 |
| a | 6.5383 ± 0.0002 Å |
| b | 18.4779 ± 0.0005 Å |
| c | 11.2222 ± 0.0004 Å |
| α | 90° |
| β | 95.448 ± 0.001° |
| γ | 90° |
| Cell volume | 1349.68 ± 0.07 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.0387 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279628 (current) | 2022-11-30 | cif/ Adding structures of 7131048 via cif-deposit CGI script. |
7131048.cif |
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Users of the data should acknowledge the original authors of the
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