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Information card for entry 4107599
Preview
Coordinates | 4107599.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | SSIP-Diphenylcyclotrisilanide |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107599.html
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structural data.