2008src0076 - C22H25BF4N2O

Sample Originator: N Tomkinsonb.

Data Collection: Peter N. Hortona

Structure Determination: Simon J. Colesa, Michael B. Hursthousea and Peter N. Hortona.

University of Southamptona
Cardiff Universityb



Identification Number:10.5258/ecrystals/536
Date Created:29 July 2008
Deposited On:29 Jul 2008 13:37
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC22 H25 B F4 N2 O
Crystal morphologyCut Block
Crystal systemorthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a9.7751(3)
Cell length b12.8596(4)
Cell length c16.8243(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0787
R Factor (Obs)0.0418
R Factor (All)0.0557
Weighted R Factor (Obs)0.0950
Weighted R Factor (All)0.1029

Citation: Coles, Simon J. and Hursthouse, Michael B. and Horton, Peter N. and Tomkinson, N (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/536)
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