Sample Originator: Robert S. Warda.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University College of Swanseaa
University of Southamptonb
C20H20O6
InChI=1/C20H20O6/c1-24-18-6-11-4-15-12(9-26-20(15)23)3-10-5-16(21)19(25-2)8-14(10)13(11)7-17(18)22/h5-8,12,15,21-22H,3-4,9H2,1-2H3/t12-,15+/m0/s1
| Date Created: | 18 July 2000 |
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| Deposited On: | 23 Dec 2014 13:03 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C20 H20 O6 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 13.4814(3) |
| Cell length b | 7.2705(2) |
| Cell length c | 17.7911(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.2660(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0349 |
| R Factor (All) | 0.0432 |
| Weighted R Factor (Obs) | 0.0870 |
| Weighted R Factor (All) | 0.0919 |
Citation: Ward, Robert S. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/737/)
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