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2009src0116 - C7H14B5O10N

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

C7H14B5O10N

InChI=1/C7H10N.B5H4O10/c8-6-7-4-2-1-3-5-7;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h1-5H,6H2,8H3;6-9H

Identification Number:10.5258/ecrystals/703
Controlled Keywords:boron compounds
Date Created:22 April 2009
Deposited On:26 Jan 2010 12:40
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC7 H14 B5 N O10
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a9.3511(2)
Cell length b14.5157(4)
Cell length c10.4670(2)
Cell angle alpha90.00
Cell angle beta90.778(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0467
R Factor (Obs)0.0391
R Factor (All)0.0457
Weighted R Factor (Obs)0.0874
Weighted R Factor (All)0.0922

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/703)
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