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Information card for entry 1553118
Preview
| Coordinates | 1553118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H37 N O4 S Sn |
|---|---|
| Calculated formula | C32 H37 N O4 S Sn |
| SMILES | [Sn@@]1(C=C2CN(S(=O)(=O)c3ccc(cc3)C)[C@H]([C@]2(C1)C(=O)OC)c1ccc(cc1)C)(c1ccccc1)CCCC |
| Title of publication | A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction |
| Authors of publication | Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 713 |
| a | 8.592 ± 0.007 Å |
| b | 10.956 ± 0.009 Å |
| c | 16.545 ± 0.014 Å |
| α | 90° |
| β | 92.673 ± 0.011° |
| γ | 90° |
| Cell volume | 1556 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.196 |
| Weighted residual factors for all reflections included in the refinement | 0.2108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233611 (current) | 2019-11-23 | cif/ Adding structures of 1553118 via cif-deposit CGI script. |
1553118.cif |
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Users of the data should acknowledge the original authors of the
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