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Information card for entry 7106295
Preview
| Coordinates | 7106295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H27 N O3 S |
|---|---|
| Calculated formula | C19 H27 N O3 S |
| SMILES | S(=O)(=O)(N1CCCC1C(=C(C)C)CCC(=O)C)c1ccc(cc1)C |
| Title of publication | Tandem ene-reaction/hydroamination of amino-olefin and -allene compounds catalyzed by Bi(OTf)3 |
| Authors of publication | Kimihiro Komeyama Yuusuke Kouya Yuuki Ohama Ken Takaki |
| Journal of publication | Chem.Commun. |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 5031 |
| a | 7.673 ± 0.004 Å |
| b | 11.669 ± 0.006 Å |
| c | 11.687 ± 0.005 Å |
| α | 75.194 ± 0.012° |
| β | 73.861 ± 0.012° |
| γ | 82.003 ± 0.013° |
| Cell volume | 969.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1746 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7106295.cif |
| 180166 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/62. |
7106295.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7106295.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7106295.cif |
| 18090 | 2011-04-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7106295 via cif-deposit CGI script. |
7106295.cif |
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Users of the data should acknowledge the original authors of the
structural data.