Sample Originator: John Spencera and Hiren Patela.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C17H26BNO3
InChI=1/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3
| Identification Number: | 10.5258/ecrystals/649 |
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| Date Created: | 23 February 2009 |
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| Deposited On: | 09 Apr 2009 10:51 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C17 H26 B N O3 |
| Crystal morphology | Prism |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 6.4630(8) |
| Cell length b | 12.9251(14) |
| Cell length c | 20.862(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.690(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1050 |
| R Factor (All) | 0.1909 |
| Weighted R Factor (Obs) | 0.1787 |
| Weighted R Factor (All) | 0.2227 |
Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/649)
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