Sample Originator: John D. Hepwortha and Chris D. Gabbuttb.
Data Collection: Dai E. Hibbsc and Michael B. Hursthoused
Structure Determination: Dai E. Hibbsc and Steven J. Lamondd.
University of Hulla
University of Leedsb
University of Sydneyc
University of Southamptond
C~31~H28~O~3~S
InChI=1/C31H28O3S/c1-3-22-26(20-13-7-5-8-14-20)27(21-15-9-6-10-16-21)31(4-2,30(22)34)19-24(32)29-28(33)23-17-11-12-18-25(23)35-29/h5-18,22,33H,3-4,19H2,1-2H3/t22-,31-/m0/s1
| Date Created: | 24 September 1996 |
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| Deposited On: | 23 Dec 2014 13:23 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C31 H28 O3 S |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.8900(10) |
| Cell length b | 11.065(3) |
| Cell length c | 12.8760(10) |
| Cell angle alpha | 64.610(3) |
| Cell angle beta | 68.140(10) |
| Cell angle gamma | 79.900(8) |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0400 |
| R Factor (All) | 0.0560 |
| Weighted R Factor (Obs) | 0.0882 |
| Weighted R Factor (All) | 0.0935 |
Citation: Hepworth, John D. and Gabbutt, Chris D. and Hibbs, Dai E. and Hursthouse, Michael B. and Lamond, Steven J. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/797/)
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