Sample Originator: Michael A. Becketta and James Timmisa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of Wales, Bangora
University of Southamptonb
C3H12B5NO10
InChI=1/C3H8N.B5H4O10/c4-3-1-2-3;6-1-10-2(7)13-5(12-1)14-3(8)11-4(9)15-5/h3H,1-2H2,4H3;6-9H
| Identification Number: | 10.5258/ecrystals/1258 |
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| Controlled Keywords: | boron compounds |
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| Date Created: | 08 March 2010 |
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| Deposited On: | 08 Mar 2010 11:34 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User refcode: MAB/JT/31
Data collection parameters
| Chemical formula | C3 H12 B5 N O10 |
| Crystal morphology | Slab |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.0079(2) |
| Cell length b | 8.8634(3) |
| Cell length c | 8.8643(2) |
| Cell angle alpha | 67.429(2) |
| Cell angle beta | 88.975(2) |
| Cell angle gamma | 75.9650(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0334 |
| R Factor (Obs) | 0.0317 |
| R Factor (All) | 0.0361 |
| Weighted R Factor (Obs) | 0.0792 |
| Weighted R Factor (All) | 0.0821 |
Citation: Beckett, Michael A. and Timmis, James and Horton, Peter N. and Hursthouse, Michael B. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1258)
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