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Information card for entry 4110072
Preview
| Coordinates | 4110072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-(1-Adamantyl)-1,1,2-tris(tri-tert-butylsilyl)- 1,2-disilacycloprop-2-ene |
|---|---|
| Formula | C47 H96 Si5 |
| Calculated formula | C47 H96 Si5 |
| SMILES | [Si]1(=C([Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C12CC3CC(C1)CC(C2)C3)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Air-Stable Disilacyclopropene with a SiC Bond and Its Conversion to Disilacyclopropenylium Ion: Silicon-Carbon Hybrid 2π-Electron Systems |
| Authors of publication | Masayasu Igarashi; Masaaki Ichinohe; Akira Sekiguchi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 12660 - 12661 |
| a | 13.901 ± 0.0002 Å |
| b | 20.785 ± 0.0006 Å |
| c | 35.331 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10208.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0823 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1634 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178871 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/00. |
4110072.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110072.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110072.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110072.cif |
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