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Information card for entry 1517233
Preview
| Coordinates | 1517233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O3 S |
|---|---|
| Calculated formula | C19 H21 N O3 S |
| SMILES | S(C(C)(C)C)(N1[C@@H]2c3ccccc3OCC2=C2CC(=O)C=C2C1)=O |
| Title of publication | Indium-Mediated Asymmetric Intramolecular Allenylation of N-tert-Butanesulfinyl Imines: Efficient and Practical Access to Chiral 3-Allenyl-4-aminochromanes. |
| Authors of publication | Su, Lin; Zhu, Ting-Shun; Xu, Ming-Hua |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 16 |
| Pages of publication | 4118 - 4121 |
| a | 7.176 ± 0.002 Å |
| b | 10.859 ± 0.003 Å |
| c | 12.059 ± 0.004 Å |
| α | 100.648 ± 0.005° |
| β | 106.125 ± 0.005° |
| γ | 95.565 ± 0.005° |
| Cell volume | 876.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.269 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517233.cif |
| 123115 | 2014-09-06 | cif/ Updating files of 1517232, 1517233, 1517234, 1517235 Original log message: Adding full bibliography for 1517232--1517235.cif. |
1517233.cif |
| 120860 | 2014-07-29 | cif/ Adding structures of 1517233 via cif-deposit CGI script. |
1517233.cif |
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Users of the data should acknowledge the original authors of the
structural data.