Sample Originator: C.D. Gabbuta and John D. Hepworthb.
Data Collection: Dai. E. Hibbsc and Michael B. Hursthoused
Structure Determination: Dai. E. Hibbsc and Steven J. Lamondd.
Univeristy of Leedsa
Univeristy of Hullb
University of Sydneyc
University of Southamptond
C28H20O8
InChI=1/2C28H20O8/c2*1-26-23-16(19(29)12-8-4-6-10-14(12)33-23)21(35-26)18-22-17-20(30)13-9-5-7-11-15(13)34-24(17)27(2,36-22)28(18,26)25(31)32-3/h2*4-11,18,21-22H,1-3H3/t2*18-,21-,22-,26+,27+,28-/m11/s1
| Date Created: | 02 October 1997 |
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| Deposited On: | 23 Dec 2014 13:24 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C56 H40 O16 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.520(5) |
| Cell length b | 13.984(4) |
| Cell length c | 21.530(2) |
| Cell angle alpha | 102.71(3) |
| Cell angle beta | 93.44(8) |
| Cell angle gamma | 94.76(2) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0485 |
| R Factor (All) | 0.1410 |
| Weighted R Factor (Obs) | 0.0723 |
| Weighted R Factor (All) | 0.1039 |
Citation: Gabbut, C.D. and Hepworth, John D. and Hibbs, Dai. E. and Hursthouse, Michael B. and Lamond, Steven J. (1997) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/792/)
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