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Information card for entry 1503961
Preview
| Coordinates | 1503961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | <i>(E)</i> Ethyl-3-(2'-tertbutyl-3'-ethoxycarbonyl-2'-(1",1"-bistrimethylsilyl-2",2",2"- trimethyldisilanyl)cyclop-1'-yl)-prop-2-enoate |
|---|---|
| Formula | C24 H50 O5 Si4 |
| Calculated formula | C24 H50 O5 Si4 |
| SMILES | [Si](O[Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)[C@]1(C(C)(C)C)[C@@H](/C=C/C(=O)OCC)[C@@H]1C(=O)OCC |
| Title of publication | Acyl polysilanes: new acyl anion equivalents for additions to electron-deficient alkenes. |
| Authors of publication | Bower, Justin; Box, Matthew R.; Czyzewski, Michal; Goeta, Andres E.; Steel, Patrick G. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 2744 - 2747 |
| a | 25.1341 ± 0.0012 Å |
| b | 9.5269 ± 0.0005 Å |
| c | 16.8986 ± 0.0008 Å |
| α | 90° |
| β | 128.434 ± 0.001° |
| γ | 90° |
| Cell volume | 3169.6 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
1503961.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503961.cif |
| 39219 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503961 via cif-deposit CGI script. |
1503961.cif |
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Users of the data should acknowledge the original authors of the
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