Acetic acid (2R,3S,4R,5S,6S)-3,4,5-triacetoxy-6-((2S,4R)-4-acetoxy-2-acetoxymethyl-oxepan-3-ylmethyl)-tetrahydro-pyran-2-ylmethyl ester
University of Southamptona
University of Wales, Bangorb
C24H32O15 InChI=1/C24H32O15/c1-11(25)32-9-18-20(17(7-8-31-18)34-13(3)27)39-24-23(37-16(6)30)22(36-15(5)29)21(35-14(4)28)19(38-24)10-33-12(2)26/h7-8,17-24H,9-10H2,1-6H3/t17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 | Identification Number: | 10.5258/ecrystals/872 |
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| Controlled Keywords: | organic compounds |
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| Date Created: | 02 October 2009 |
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| Deposited On: | 16 Feb 2010 11:23 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters| Chemical formula | C24 H32 O15 | | Crystal morphology | Fragment | | Crystal system | orthorhombic | | Space group symbol | P 21 21 21 | | Cell length a | 9.35720(10) | | Cell length b | 11.0999(2) | | Cell length c | 25.9334(5) | | 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) | 0.0467 | | R Factor (All) | 0.0588 | | Weighted R Factor (Obs) | 0.0840 | | Weighted R Factor (All) | 0.0897 |
Citation: Tizzard, Graham J. and Hursthouse, Michael B. and Croft, Anna K. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/872)
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