Sample Originator: Peter G. Taylora.
Data Collection: Richard Stephensonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
Open Universitya
University of Southamptonb
C56H92FNO28Si8
InChI=1/C40H58O28Si8.C16H36N.FH/c1-25(2)33(41)49-17-69-57-70(18-50-34(42)26(3)4)60-73(21-53-37(45)29(9)10)62-71(58-69,19-51-35(43)27(5)6)64-75(23-55-39(47)31(13)14)65-72(59-69,20-52-36(44)28(7)8)63-74(61-70,22-54-38(46)30(11)12)67-76(66-73,68-75)24-56-40(48)32(15)16;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h32H,1,3,5,7,9,11,13,17-24H2,2,4,6,8,10,12,14-16H3;5-16H2,1-4H3;1H/q-8;;/t69-,70+,71-,72+,73+,74-,75+,76-;;
| Identification Number: | 10.5258/ecrystals/1245 |
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| Controlled Keywords: | silicon compounds, cage molecules |
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| Date Created: | 11 May 2009 |
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| Deposited On: | 25 Jan 2010 15:19 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User Refcode:- EY 231-Tol-Ac
Data collection parameters
| Chemical formula | C56 H92 F N O28 Si8 |
| Crystal morphology | Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.2479(3) |
| Cell length b | 12.5527(4) |
| Cell length c | 15.9489(5) |
| Cell angle alpha | 105.062(2) |
| Cell angle beta | 106.841(2) |
| Cell angle gamma | 101.499(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 17.55 |
| R Factor (Obs) | 0.0455 |
| R Factor (All) | 0.0706 |
| Weighted R Factor (Obs) | 0.1089 |
| Weighted R Factor (All) | 0.1206 |
Citation: Taylor, Peter G. and Horton, Peter N. and Hursthouse, Michael B. and Stephenson, Richard (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1245)
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