Sample Originator: W. B. Motherwellb.
Data Collection: Graham. J. Tizzarda, Simon J. Colesa and Michael B. Hursthousea
Structure Determination: Graham. J. Tizzarda, Simon J. Colesa and Michael B. Hursthousea.
University of Southamptona
University College London b
(C8H14NO2)+ . (C24H20B)-
InChI=1/C14H15B.C7H12NO2/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;1-8-4-5-10-7(8)3-2-6(8)9/h3-13H,1-2H2;7H,2-5H2,1H3/b12-5+,13-6+;/t;7-/m.0/s1
| Identification Number: | 10.5258/ecrystals/816 |
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| Date Created: | 28 August 2009 |
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| Deposited On: | 16 Feb 2010 11:43 |
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| Deposited By: | Dr G J Tizzard |
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Data collection parameters
| Chemical formula | C31 H32 B N O2 |
| Crystal morphology | Cut Block |
| Crystal system | orthorhombic |
| Space group symbol | P n m a |
| Cell length a | 19.3041(7) |
| Cell length b | 13.1353(5) |
| Cell length c | 10.1462(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0699 |
| R Factor (All) | 0.0769 |
| Weighted R Factor (Obs) | 0.1670 |
| Weighted R Factor (All) | 0.1720 |
Citation: Tizzard, Graham. J. and Coles, Simon J. and Hursthouse, Michael B. and Motherwell, W. B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/816)
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