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Information card for entry 4109584
Preview
| Coordinates | 4109584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-bis[bis{bis(trimethylsilyl)methyl}isopropyl}- 3,4-diphenyl-1,2-disilabenzene |
|---|---|
| Formula | C50 H102 Si12 |
| Calculated formula | C50 H102 Si12 |
| SMILES | [Si]1(=[Si]([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)C=C(C(=C1)c1ccccc1)c1ccccc1)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C |
| Title of publication | Reactivity of a Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) toward π-Bonds: Stereospecific Addition and a New Route to an Isolable 1,2-Disilabenzene |
| Authors of publication | Rei Kinjo; Masaaki Ichinohe; Akira Sekiguchi; Nozomi Takagi; Michinori Sumimoto; Shigeru Nagase |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7766 - 7767 |
| a | 11.964 ± 0.001 Å |
| b | 14.311 ± 0.0016 Å |
| c | 20.267 ± 0.002 Å |
| α | 110.482 ± 0.005° |
| β | 91.712 ± 0.006° |
| γ | 92.014 ± 0.006° |
| Cell volume | 3245.4 ± 0.6 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1193 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178841 (current) | 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 4/10/95. |
4109584.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109584.cif |
| 58361 | 2012-05-28 | cif/ Adding structures of 4109584 via cif-deposit CGI script. |
4109584.cif |
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Users of the data should acknowledge the original authors of the
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