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 |
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| Controlled Keywords: | boron compounds |
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| Date Created: | 22 April 2009 |
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| Deposited On: | 26 Jan 2010 12:43 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C38 H52 B12 O27 P2 |
| Crystal morphology | Cut Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.1076(10) |
| Cell length b | 13.0403(10) |
| Cell length c | 20.6260(15) |
| Cell angle alpha | 84.364(5) |
| Cell angle beta | 82.811(4) |
| Cell angle gamma | 76.492(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0481 |
| 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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