Sample Originator: Ian R. Butlera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Wales, Bangora
University of Southamptonb
C46H49Cl3O6
InChI=1/3C15H16O2.CHCl3/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;2-1(3)4/h3*3-10,16-17H,1-2H3;1H
| Identification Number: | 10.5258/ecrystals/925 |
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| Controlled Keywords: | catalysis |
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| Date Created: | 28 April 2004 |
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| Deposited On: | 08 Nov 2013 16:39 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C46 H49 Cl3 O6 |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.179(3) |
| Cell length b | 17.150(7) |
| Cell length c | 20.284(7) |
| Cell angle alpha | 75.3973(18) |
| Cell angle beta | 89.419(2) |
| Cell angle gamma | 84.076(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0777 |
| R Factor (Obs) | 0.0671 |
| R Factor (All) | 0.1275 |
| Weighted R Factor (Obs) | 0.1477 |
| Weighted R Factor (All) | 0.1751 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/925)
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