Sample Originator: Michael B. Hursthouse, Peter N. Horton, Mark E. Light, Y. Yang, P. G. Taylor, I. A. MacKinnon, Z. Liu and A. R. Bassindale.
C64H120O28Si8
InChI=1/2C32H60O14Si4/c2*1-29(2,21-25(33)40-9)13-17-47-44-50(20-16-32(7,8)24-28(36)43-12,45-48(37)18-14-30(3,4)22-26(34)41-10)46-49(38,39)19-15-31(5,6)23-27(35)42-11/h2*13-24H2,1-12H3/t2*50-/m10/s1
| Identification Number: | 10.5258/ecrystals/61 |
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| Date Created: | 05 December 2001 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The synthesis of T8 silsesquioxane cages from trialkoxysilanes using tetra n-butylammonium fluoride is described. The yields are in the range 20–95%, which is a great improvement on other literature routes. This methodology enables a wide range of functionalised T8 cages to be prepared. The X-ray crystal structures of three new T8 cages, octacyclopentylsilsesquioxane, octaisobutylsilsesquioxane and octa(4-carboxymethyl-3,3-dimethylbutyl)silsesquioxane are also reported.
Data collection parameters
| Chemical formula | C64 H120 O28 Si8 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 14.3683(3) |
| Cell length b | 18.0913(4) |
| Cell length c | 18.3397(4) |
| Cell angle alpha | 106.2590(10) |
| Cell angle beta | 109.9200(10) |
| Cell angle gamma | 101.9080(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0495 |
| R Factor (All) | 0.0996 |
| Weighted R Factor (Obs) | 0.1000 |
| Weighted R Factor (All) | 0.1162 |
Citation: Hursthouse, Michael B. and Horton, Peter N. and Light, Mark E. and Yang, Y. and Taylor, P. G. and MacKinnon, I. A. and Liu, Z. and Bassindale, A. R. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/61)
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