Sample Originator: John Spencerb.
Structure Determination: Graham J. Tizzarda and Michael B. Hursthousea.
University of Southamptona
University of Greenwichb
C31H33O2B1Br1P1
InChI=1/C25H24BO2P.BrH/c27-26(28)22-12-10-11-21(19-22)20-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19,27-29H,20H2;1H
| Identification Number: | 10.5258/ecrystals/1047 |
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| Controlled Keywords: | small organic salts |
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| Date Created: | 16 November 2009 |
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| Deposited On: | 16 Feb 2010 11:15 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C25 H23 B Br O2 P |
| Crystal morphology | Shard |
| Crystal system | monoclinic |
| Space group symbol | P n |
| Cell length a | 9.8278(4) |
| Cell length b | 9.4884(5) |
| Cell length c | 12.0388(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 94.740(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0428 |
| R Factor (All) | 0.0565 |
| Weighted R Factor (Obs) | 0.0799 |
| Weighted R Factor (All) | 0.0846 |
Citation: Tizzard, Graham J. and Hursthouse, Michael B. and Spencer, John (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1047)
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