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Information card for entry 4122592
Preview
| Coordinates | 4122592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | spiro[2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethyl-bicyclo[4.1.0]heptasil-1(6)- ene-7,1'-2,2,5,5-tetra-tert-butyl-3,3,4,4-tetramethylcyclopentasilane] |
|---|---|
| Formula | C40 H96 Si11 |
| Calculated formula | C40 H96 Si11 |
| SMILES | [Si]1([Si]2([Si]([Si]([Si]1(C)C)(C)C)(C(C)(C)C)C(C)(C)C)[Si]1=[Si]2[Si]([Si]([Si]([Si]1(C(C)(C)C)C(C)(C)C)(C)C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Tetrasilane-bridged bicyclo[4.1.0]heptasil-1(6)-ene. |
| Authors of publication | Tsurusaki, Akihiro; Kamiyama, Jun; Kyushin, Soichiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 37 |
| Pages of publication | 12896 - 12898 |
| a | 12.0612 ± 0.0016 Å |
| b | 14.318 ± 0.002 Å |
| c | 18.484 ± 0.002 Å |
| α | 101.875 ± 0.003° |
| β | 97.825 ± 0.002° |
| γ | 111.173 ± 0.003° |
| Cell volume | 2834.3 ± 0.6 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179027 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/25. |
4122592.cif |
| 127072 | 2014-11-12 | cif/ Updating files of 4122592, 4122593 Original log message: Adding full bibliography for 4122592--4122593.cif. |
4122592.cif |
| 123554 | 2014-09-08 | cif/ Adding structures of 4122592, 4122593 via cif-deposit CGI script. |
4122592.cif |
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