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Information card for entry 1534110
Preview
| Coordinates | 1534110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Cl2 I N3 O4 S |
|---|---|
| Calculated formula | C25 H22 Cl2 I N3 O4 S |
| SMILES | IC/C=C/[C@]1(N(S(=O)(=O)c2ccc(N(=O)=O)cc2)N=C(c2ccccc2)C1)c1ccccc1.ClCCl |
| Title of publication | Catalytic Enantioselective 1,4-Iodofunctionalizations of Conjugated Dienes. |
| Authors of publication | Tripathi, Chandra Bhushan; Mukherjee, Santanu |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4424 - 4427 |
| a | 10.469 ± 0.003 Å |
| b | 11.122 ± 0.003 Å |
| c | 11.473 ± 0.004 Å |
| α | 90° |
| β | 92.129 ± 0.015° |
| γ | 90° |
| Cell volume | 1335 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160462 (current) | 2015-10-06 | cif/ Adding structures of 1534110 via cif-deposit CGI script. |
1534110.cif |
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Users of the data should acknowledge the original authors of the
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