Sample Originator: Nicholas Blagdena.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Bradforda
University of Southamptonb
C17H25N3O8S2
InChI=1/C15H20N3O7S2.C2H6O/c19-7-10-11(20)12(21)13(22)14(25-10)17-8-1-3-9(4-2-8)27(23,24)18-15-16-5-6-26-15;1-2-3/h1-6,10-14,16-22H,7H2;3H,2H2,1H3/t10-,11-,12+,13-,14-;/m1./s1
| Controlled Keywords: | glycosylation |
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| Date Created: | 22 September 2005 |
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| Deposited On: | 14 Aug 2013 23:32 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
Only C-H hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C17 H25 N3 O8 S2 |
| Crystal morphology | Slab |
| Crystal system | orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 9.1633(5) |
| Cell length b | 27.6017(15) |
| Cell length c | 8.0214(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0399 |
| R Factor (All) | 0.0453 |
| Weighted R Factor (Obs) | 0.0929 |
| Weighted R Factor (All) | 0.0959 |
Citation: Blagden, Nicholas and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1052/)
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