Sample Originator: S. M. Roberts, Michael B. Hursthouse, Simon J. Coles, J. V. Barkley, R. J. H. Gregory and D. E. Hibbs.
C14H24BrNO2Si
InChI=1/C14H24BrNO2Si/c1-13(2,3)19(4,5)18-14(8-16)7-9-10(14)6-11(17)12(9)15/h9-12,17H,6-7H2,1-5H3/t9-,10-,11+,12+,14-/m1/s1
| Identification Number: | 10.5258/ecrystals/105 |
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| Date Created: | 25 February 1997 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The first enantioselective enzyme-catalyzed addition of the elements of hydrogen cyanide to a complex ketone, namely bicyclo[3.2.0]hept-2-en-6-one 4, provides access to a valuable single enantiomer of a bicyclic ketone. The preparation of cyanohydrins from bicyclic ketones 1–4 is documented.
Data collection parameters
| Chemical formula | C14 H24 Br N O2 Si |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.0900(10) |
| Cell length b | 8.114(2) |
| Cell length c | 18.467(4) |
| Cell angle alpha | 101.11(3) |
| Cell angle beta | 95.30(3) |
| Cell angle gamma | 106.29(3) |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | 0.1712 |
| R Factor (Obs) | |
| R Factor (All) | 0.0515 |
| Weighted R Factor (Obs) | |
| Weighted R Factor (All) | |
Citation: Roberts, S. M. and Hursthouse, Michael B. and Coles, Simon J. and Barkley, J. V. and Gregory, R. J. H. and Hibbs, D. E. (1997) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/105)
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