Sample Originator: Athanasia Dervisia.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Cardiff Universitya
University of Southamptonb
C28H38N4O8S2
InChI=1/C14H21N2O4S/c1-2-15(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)16(17)18/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
| Controlled Keywords: | organic compounds |
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| Date Created: | 05 October 2005 |
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| Deposited On: | 24 Feb 2010 12:12 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C28 H38 N4 O8 S2 |
| Crystal morphology | Cut Plate |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 7.6356(3) |
| Cell length b | 9.1896(4) |
| Cell length c | 12.3286(5) |
| Cell angle alpha | 102.333(2) |
| Cell angle beta | 105.058(3) |
| Cell angle gamma | 108.494(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0441 |
| R Factor (All) | 0.0599 |
| Weighted R Factor (Obs) | 0.1018 |
| Weighted R Factor (All) | 0.1104 |
Citation: Dervisi, Athanasia and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1051/)
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