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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
Controlled Keywords:organic compounds
Date Created:02 October 2009
Deposited On:16 Feb 2010 11:23
Deposited By:Dr G J Tizzard

Data collection parameters

Chemical formulaC24 H32 O15
Crystal morphologyFragment
Crystal systemorthorhombic
Space group symbolP 21 21 21
Cell length a9.35720(10)
Cell length b11.0999(2)
Cell length c25.9334(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(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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