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Information card for entry 4107600
Preview
| Coordinates | 4107600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Trisilaindane |
|---|---|
| Chemical name | rac-trans-1-Chloro-1-Phenyl-2,2,3-tris(2',4',6'- triisopropylphenyl)-1,2,3-trisilaindane |
| Formula | C75 H115 Cl Si3 |
| Calculated formula | C75 H115 Cl Si3 |
| 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 | 13.3185 ± 0.0008 Å |
| b | 15.7123 ± 0.0009 Å |
| c | 18.0837 ± 0.0011 Å |
| α | 78.6948 ± 0.0014° |
| β | 75.7526 ± 0.0013° |
| γ | 76.4736 ± 0.0013° |
| Cell volume | 3527.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0856 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4107600.cif |
| 178822 | 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 4/10/76. |
4107600.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107600.cif |
| 55286 | 2012-05-04 | cif/ Adding structures of 4107600 via cif-deposit CGI script. |
4107600.cif |
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Users of the data should acknowledge the original authors of the
structural data.