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Information card for entry 4107599
Preview
| Coordinates | 4107599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SSIP-Diphenylcyclotrisilanide |
|---|---|
| Chemical name | [Lithum(Cryptand-2.1.1)][3,3-Diphenyl-1,2,2-(2',4',6'- triisopropylphenyl)cyclotrisilan-1-ide] |
| Formula | C78 H115 Li N2 O4 Si3 |
| Calculated formula | C78 H115 Li N2 O4 Si3 |
| SMILES | [Si-]1([Si]([Si]1(c1ccccc1)c1ccccc1)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[Li]12345[N]67CC[O]4CC[O]5CC[N]1(CC[O]2CC6)CC[O]3CC7.Cc1ccccc1 |
| Title of publication | Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane |
| Authors of publication | Kai Abersfelder; David Scheschkewitz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 4114 - 4121 |
| a | 13.0569 ± 0.0004 Å |
| b | 16.6258 ± 0.0004 Å |
| c | 17.0696 ± 0.0005 Å |
| α | 84.847 ± 0.001° |
| β | 86.065 ± 0.001° |
| γ | 85.138 ± 0.001° |
| Cell volume | 3670.28 ± 0.18 Å3 |
| Cell temperature | 97 ± 2 K |
| Ambient diffraction temperature | 97 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178821 (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 4/10/75. |
4107599.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107599.cif |
| 55285 | 2012-05-04 | cif/ Adding structures of 4107599 via cif-deposit CGI script. |
4107599.cif |
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