Sample Originator: N Tomkinsona.
Data Collection: Simon J. Colesb
Structure Determination: Simon J. Colesb and Michael B. Hursthouseb.
Cardiff Universitya
University of Southamptonb
C32H31BN2O2
InChI=1/C24H20B.C8H11N2O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-9(2)8(11)12-10-6-4-3-5-7-10/h1-20H;3-7H,1-2H3
| Identification Number: | 10.5258/ecrystals/323 |
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| Date Created: | 15 June 2007 |
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| Deposited On: | 21 Jan 2008 15:30 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters
| Chemical formula | C32 H31 B N2 O2 |
| Crystal morphology | Prism |
| Crystal system | P2(1)/N |
| Space group symbol | Monoclinic |
| Cell length a | 9.31820(10) |
| Cell length b | 15.1558(2) |
| Cell length c | 18.9653(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.5870(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0465 |
| R Factor (Obs) | 0.0406 |
| R Factor (All) | 0.0522 |
| Weighted R Factor (Obs) | 0.0944 |
| Weighted R Factor (All) | 0.1008 |
Citation: Tomkinson, N and Coles, Simon J. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/323)
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