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2008src1000 - C27H36BClF2N2

Sample Originator: Simon Aldridgea.

Data Collection: Samantha K. Callearb and Michael B. Hursthouseb

Structure Determination: Samantha K. Callearb.

University of Oxforda
University of Southamptonb

C27H36BClF2N2

InChI=1/C27H36BF2N2.ClH/c1-17(2)21-11-9-12-22(18(3)4)25(21)31-15-16-32(27(31)28(29)30)26-23(19(5)6)13-10-14-24(26)20(7)8;/h9-20H,1-8H3;1H

Identification Number:10.5258/ecrystals/618
Date Created:13 November 2008
Deposited On:15 Nov 2009 17:46
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC27 H36 B Cl F2 N2
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP2/n
Cell length a12.4636(8)
Cell length b7.3364(8)
Cell length c15.1611(16)
Cell angle alpha90.00
Cell angle beta91.529(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.1746
R Factor (All)0.3297
Weighted R Factor (Obs)0.2436
Weighted R Factor (All)0.3107

Citation: Aldridge, Simon and Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/618)
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