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Information card for entry 7153757
Preview
| Coordinates | 7153757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H48 N4 O12 Si2 |
|---|---|
| Calculated formula | C35 H48 N4 O12 Si2 |
| SMILES | [Si](C(=C[C@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@H]1C[C@@H](OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)CCC1)[Si](CC)(CC)CC)(CC)(CC)CC.[Si](C(=C[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@@H]1C[C@H](OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)CCC1)[Si](CC)(CC)CC)(CC)(CC)CC |
| Title of publication | Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon. |
| Authors of publication | Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 19 |
| Pages of publication | 3021 - 3025 |
| a | 8.2957 ± 0.0008 Å |
| b | 9.7941 ± 0.001 Å |
| c | 27.385 ± 0.003 Å |
| α | 81.1 ± 0.008° |
| β | 84.633 ± 0.008° |
| γ | 87.844 ± 0.008° |
| Cell volume | 2188 ± 0.4 Å3 |
| Cell temperature | 294.04 ± 0.1 K |
| Ambient diffraction temperature | 294.04 ± 0.1 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 | 0.1169 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.2098 |
| Weighted residual factors for all reflections included in the refinement | 0.2439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7153757.cif |
| 180323 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/37. |
7153757.cif |
| 111170 | 2014-04-20 | cif/ Adding structures of 7153756, 7153757 via cif-deposit CGI script. |
7153757.cif |
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Users of the data should acknowledge the original authors of the
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