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 |
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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 12:40 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C7 H14 B5 N O10 |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 9.3511(2) |
| Cell length b | 14.5157(4) |
| Cell length c | 10.4670(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.778(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0467 |
| 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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