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00SRC278(630) - C20H20O6

Sample Originator: Robert S. Warda.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

University College of Swanseaa
University of Southamptonb

C20H20O6

InChI=1/C20H20O6/c1-24-18-6-11-4-15-12(9-26-20(15)23)3-10-5-16(21)19(25-2)8-14(10)13(11)7-17(18)22/h5-8,12,15,21-22H,3-4,9H2,1-2H3/t12-,15+/m0/s1

Date Created:18 July 2000
Deposited On:23 Dec 2014 13:03
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC20 H20 O6
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a13.4814(3)
Cell length b7.2705(2)
Cell length c17.7911(4)
Cell angle alpha90.00
Cell angle beta94.2660(10)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0349
R Factor (All)0.0432
Weighted R Factor (Obs)0.0870
Weighted R Factor (All)0.0919

Citation: Ward, Robert S. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/737/)
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Available Files

Final Result

00SRC278.cif16k
00SRC278.cml7k

Validation

00SRC278_checkcif.htm8k

Refinement

00SRC278.res7k

Processing

00SRC278.HKL503k
00SRC278.HTM6k

Other Files

00SRC278.inchi2k
00SRC278.mol4k
00SRC278_ellipsoid.gif19k

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