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02SRC760 - C11H14NO

Sample Originator: Mark E. Wooda.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Exetera
University of Southamptonb

C11H14NO

InChI=1/C22H28N2O2/c1-21-22(2,24(14-15-25-21)18-20-11-7-4-8-12-20)26-16-13-23(21)17-19-9-5-3-6-10-19/h3-12H,13-18H2,1-2H3/t21-,22-/m1/s1

Identification Number:10.5258/ecrystals/896
Controlled Keywords:amino acids
Date Created:09 December 2002
Deposited On:14 Aug 2013 23:09
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H28 N2 O2
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPca2(1)
Cell length a17.1687(3)
Cell length b6.09270(10)
Cell length c18.4778(4)
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)0.0407
R Factor (All)0.0559
Weighted R Factor (Obs)0.1057
Weighted R Factor (All)0.1156

Citation: Wood, Mark E. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/896)
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