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Information card for entry 1553109
Preview
| Coordinates | 1553109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 I O3 |
|---|---|
| Calculated formula | C23 H17 I O3 |
| SMILES | c1ccccc1C(=C(C(=O)c1ccccc1C(=O)OC)I)c1ccccc1 |
| Title of publication | An iodine-promoted Meyer‒Schuster rearrangement for the synthesis of α-iodo unsaturated ketones |
| Authors of publication | Zhu, Hai-Tao; Fan, Ming-Jin; Yang, De-Suo; Wang, Xiao-Ling; Ke, Sen; Zhang, Chao-Yang; Guan, Zheng-Hui |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 506 |
| a | 26.291 ± 0.014 Å |
| b | 8.781 ± 0.005 Å |
| c | 18.363 ± 0.01 Å |
| α | 90° |
| β | 111.863 ± 0.004° |
| γ | 90° |
| Cell volume | 3934 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0479 |
| Weighted residual factors for all reflections included in the refinement | 0.0529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233606 (current) | 2019-11-23 | cif/ Adding structures of 1553109 via cif-deposit CGI script. |
1553109.cif |
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Users of the data should acknowledge the original authors of the
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