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Information card for entry 1554839
Preview
| Coordinates | 1554839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O2 Se |
|---|---|
| Calculated formula | C17 H16 O2 Se |
| SMILES | [Se](C[C@]1(OC(=O)CC1)c1ccccc1)c1ccccc1 |
| Title of publication | Catalytic and highly enantioselective selenolactonization. |
| Authors of publication | Niu, Wenxue; Yeung, Ying-Yeung |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 7 |
| Pages of publication | 1660 - 1663 |
| a | 6.9078 ± 0.0004 Å |
| b | 10.3981 ± 0.0006 Å |
| c | 10.0732 ± 0.0006 Å |
| α | 90° |
| β | 95.471 ± 0.0017° |
| γ | 90° |
| Cell volume | 720.24 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0141 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0372 |
| Weighted residual factors for all reflections included in the refinement | 0.0373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238147 (current) | 2019-11-24 | cif/ Adding structures of 1554839 via cif-deposit CGI script. |
1554839.cif |
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Users of the data should acknowledge the original authors of the
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