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2009src0115 - C19H21B6O13.5P

Sample Originator: Michael A. Becketta and James Timmisa.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

University of Wales, Bangora
University of Southamptonb

C19H21B6O13.5P

InChI=1/C19H19P.B5H4O10.BH3O3/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5;2-1(3)4/h2-16,20H,1H3;6-9H;2-4H

Identification Number:10.5258/ecrystals/702
Controlled Keywords:boron compounds
Date Created:22 April 2009
Deposited On:26 Jan 2010 12:43
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC38 H52 B12 O27 P2
Crystal morphologyCut Block
Crystal systemtriclinic
Space group symbolP-1
Cell length a10.1076(10)
Cell length b13.0403(10)
Cell length c20.6260(15)
Cell angle alpha84.364(5)
Cell angle beta82.811(4)
Cell angle gamma76.492(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0481
R Factor (Obs)0.0749
R Factor (All)0.1042
Weighted R Factor (Obs)0.1527
Weighted R Factor (All)0.1730

Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/702)
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