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Information card for entry 1504742
Preview
| Coordinates | 1504742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H24 Br N O S |
|---|---|
| Calculated formula | C17 H24 Br N O S |
| SMILES | Brc1ccc([C@@H](NS(=O)C(C)(C)C)[C@@H]2C=CCCC2)cc1 |
| Title of publication | Asymmetric synthesis of homoallylic amines bearing adjacent stereogenic centers by addition of substituted allylic zinc reagents to N-tert-butanesulfinylimines. |
| Authors of publication | Reddy, Leleti Rajender; Hu, Bin; Prashad, Mahavir; Prasad, Kapa |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 14 |
| Pages of publication | 3109 - 3112 |
| a | 20.4237 ± 0.0014 Å |
| b | 20.3095 ± 0.001 Å |
| c | 8.6895 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3604.4 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MO-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
1504742.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504742.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504742.cif |
| 42331 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504742 via cif-deposit CGI script. |
1504742.cif |
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Users of the data should acknowledge the original authors of the
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