Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-phenylsulfanyl-tetrahydropyran-3-yl ester

Sample Originator: Anna K. Croft^a.

Data Collection: Graham J. Tizzard^b and Michael B. Hursthouse^b

Structure Determination: Graham J. Tizzard^b and Michael B. Hursthouse^b.

University of Wales, Bangor^a
University of Southampton^b

C₂₀H₂₄O₉S

InChI=1/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17+,18+,19-,20+/m1/s1

Identification Number:	10.5258/ecrystals/847
Controlled Keywords:	organic structures, sugars
Date Created:	18 September 2009
Deposited On:	16 Feb 2010 11:42
Deposited By:	Dr G J Tizzard

Data collection parameters

Chemical formula	C20 H24 O9 S
Crystal morphology
Crystal system	monoclinic
Space group symbol	P 21
Cell length a	12.0167(3)
Cell length b	5.56050(10)
Cell length c	17.6399(4)
Cell angle alpha	90.00
Cell angle beta	109.850(2)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0441
R Factor (All)	0.0513
Weighted R Factor (Obs)	0.0836
Weighted R Factor (All)	0.0876

Citation: Croft, Anna K. and Tizzard, Graham J. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/847)
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Available Files

Final Result

2009src0666.cif	17k
2009src0666.cml	7k

444k

Other Files

2009src0666.inchi	2k
2009src0666.mol	4k
2009src0666.p4p	232k
2009src0666_ellipsoid.gif	20k

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Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-phenylsulfanyl-tetrahydropyran-3-yl ester

Data collection parameters

Refinement results

Available Files

Final Result

Validation

Refinement

Processing

Other Files