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Information card for entry 4109378
Preview
| Coordinates | 4109378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H27 N O2 S Si |
|---|---|
| Calculated formula | C18 H27 N O2 S Si |
| SMILES | S(=O)(=O)(N1C[C@@]2([C@H]([C@@H]2C1)C)/C=C\[Si](C)(C)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]2([C@@H]([C@H]2C1)C)/C=C\[Si](C)(C)C)c1ccc(cc1)C |
| Title of publication | Selective Ruthenium-Catalyzed Transformations of Enynes with Diazoalkanes into Alkenylbicyclo[3.1.0]hexanes |
| Authors of publication | Florian Monnier; Chloé Vovard-Le Bray; Dante Castillo; Vincent Aubert; Sylvie Dérien; Pierre H. Dixneuf; Loic Toupet; Andrea Ienco; Carlo Mealli |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 6037 - 6049 |
| a | 13.5714 ± 0.0002 Å |
| b | 7.3787 ± 0.0001 Å |
| c | 19.5966 ± 0.0004 Å |
| α | 90° |
| β | 104.157 ± 0.001° |
| γ | 90° |
| Cell volume | 1902.79 ± 0.06 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109378.cif |
| 178839 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93. |
4109378.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109378.cif |
| 58144 | 2012-05-25 | cif/ Adding structures of 4109378 via cif-deposit CGI script. |
4109378.cif |
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Users of the data should acknowledge the original authors of the
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