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Information card for entry 4110188
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| Coordinates | 4110188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-1,2-Bis{(1,1,3,3,5,5,7,7-octaethyl-s-hydrindacene-4-yl)}- 1,2-diphenyldisilene |
|---|---|
| Formula | C68 H100 Si2 |
| Calculated formula | C68 H100 Si2 |
| SMILES | c1(ccccc1)/[Si](=[Si](c1ccccc1)\c1c2c(cc3c1C(CC3(CC)CC)(CC)CC)C(CC2(CC)CC)(CC)CC)c1c2c(cc3c1C(CC3(CC)CC)(CC)CC)C(CC2(CC)CC)(CC)CC |
| Title of publication | Coplanar Oligo(p-phenylenedisilenylene)s Based on the Octaethyl-Substituteds-Hydrindacenyl Groups |
| Authors of publication | Aiko Fukazawa; Yongming Li; Shigehiro Yamaguchi; Hayato Tsuji; Kohei Tamao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14164 - 14165 |
| a | 12.639 ± 0.005 Å |
| b | 14.481 ± 0.005 Å |
| c | 16.752 ± 0.007 Å |
| α | 90° |
| β | 105.982 ± 0.006° |
| γ | 90° |
| Cell volume | 2948 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.1792 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (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 4/11/01. |
4110188.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110188.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. |
4110188.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 |
4110188.cif |
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