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Information card for entry 1554793
Preview
| Coordinates | 1554793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 I N2 O3 S |
|---|---|
| Calculated formula | C24 H21 I N2 O3 S |
| SMILES | Ic1ccc(S(=O)(=O)N2C[C@H]3N(C2=O)CC(c2ccccc2)(c2ccccc2)C3)cc1 |
| Title of publication | Copper(II)-catalyzed enantioselective intramolecular cyclization of N-alkenylureas. |
| Authors of publication | Fu, Shaomin; Yang, Honghao; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 1018 - 1021 |
| a | 10.7482 ± 0.0003 Å |
| b | 12.7229 ± 0.0005 Å |
| c | 16.152 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2208.76 ± 0.14 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238121 (current) | 2019-11-24 | cif/ Adding structures of 1554793 via cif-deposit CGI script. |
1554793.cif |
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Users of the data should acknowledge the original authors of the
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