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{(2E,4R)-2-[(tert-butoxycarbonyl)imino]imidazolidin-4-yl}methyl tert-butyl carbonate

Sample Originator: P J Murphya.

Data Collection: Richard Stephensonb

Structure Determination: Richard Stephensonb and Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb

C14H25N3O5

InChI=1/C14H27N3O5/c1-13(2,3)21-11(18)17-10-15-7-9(16-10)8-20-12(19)22-14(4,5)6/h9-10,15-16H,7-8H2,1-6H3,(H,17,18)/t9-,10?/m0/s1

Identification Number:10.5258/ecrystals/259
Date Created:23 January 2007
Deposited On:21 Jan 2008 15:31
Deposited By:Dr Richard A Stephenson

Data collection parameters

Chemical formulaC14 H25 N3 O5
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.0231(6)
Cell length b9.1863(6)
Cell length c12.5757(9)
Cell angle alpha106.174(4)
Cell angle beta97.221(4)
Cell angle gamma110.245(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0883
R Factor (All)0.1405
Weighted R Factor (Obs)0.1374
Weighted R Factor (All)0.1583

Citation: Murphy, P J and Stephenson, Richard and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/259)
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Available Files

Final Result

2006src1256.cif16k
2006src1256.cml7k

Validation

2006src1256_checkcif.htm8k

Refinement

2006src1256.res7k

Processing

2006src1256.hkl575k

Other Files

2006src1256.mol4k
2006src1256_ellipsoid.gif19k

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