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Information card for entry 1564661
Preview
| Coordinates | 1564661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 I N2 O4 |
|---|---|
| Calculated formula | C13 H15 I N2 O4 |
| SMILES | I/C=C(\OC(=O)N(CC)CC)c1ccc(N(=O)=O)cc1 |
| Title of publication | Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis |
| Authors of publication | Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 35 |
| Pages of publication | 11821 - 11830 |
| a | 13.0208 ± 0.0005 Å |
| b | 12.6688 ± 0.0005 Å |
| c | 8.9165 ± 0.0003 Å |
| α | 90° |
| β | 95.368 ± 0.001° |
| γ | 90° |
| Cell volume | 1464.4 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0617 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269158 (current) | 2021-09-16 | cif/ Adding structures of 1564661, 1564662, 1564663 via cif-deposit CGI script. |
1564661.cif |
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Users of the data should acknowledge the original authors of the
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