Sample Originator: John Spencera.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C22H35BN2O4
InChI=1/C22H35BN2O4/c1-20(2,3)27-19(26)25-14-12-24(13-15-25)16-17-10-8-9-11-18(17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3
| Identification Number: | 10.5258/ecrystals/623 |
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| Date Created: | 09 January 2009 |
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| Deposited On: | 09 Apr 2009 11:10 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C22 H35 B N2 O4 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.0998(2) |
| Cell length b | 10.2807(2) |
| Cell length c | 11.7549(3) |
| Cell angle alpha | 100.067(2) |
| Cell angle beta | 100.4290(10) |
| Cell angle gamma | 103.216(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0555 |
| R Factor (All) | 0.0740 |
| Weighted R Factor (Obs) | 0.1051 |
| Weighted R Factor (All) | 0.1151 |
Citation: Spencer, John and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/623)
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