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Information card for entry 4070787
Preview
| Coordinates | 4070787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H56 O Si6 |
|---|---|
| Calculated formula | C23 H56 O Si6 |
| SMILES | [Si@@]1(OC)(/C(=C/C([Si](C)(C)C)[Si](C)(C)C)[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)[C@@H]1[Si](C)(C)C)C.[Si@]1(OC)(/C(=C/C([Si](C)(C)C)[Si](C)(C)C)[C@@H]([Si](C)(C)C)[C@H]([Si](C)(C)C)[C@H]1[Si](C)(C)C)C |
| Title of publication | An Unexpected Ring Contraction: Phenylsilane to Silacyclopentane |
| Authors of publication | Lim, Young Mook; Lee, Myong Euy |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 1000 |
| a | 9.33 ± 0.005 Å |
| b | 13.422 ± 0.007 Å |
| c | 14.544 ± 0.008 Å |
| α | 82.699 ± 0.01° |
| β | 82.082 ± 0.01° |
| γ | 71.186 ± 0.009° |
| Cell volume | 1700.9 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1206 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1583 |
| Weighted residual factors for all reflections included in the refinement | 0.1756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070787.cif |
| 178089 | 2016-03-10 | cif/4 Fixing Z values and formulae |
4070787.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070787.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070787.cif |
| 42702 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070787 via cif-deposit CGI script. |
4070787.cif |
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Users of the data should acknowledge the original authors of the
structural data.