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
C16H17FN4O
InChI=1/C16H17FN4O/c17-13-3-1-12(2-4-13)16(22)21-9-7-20(8-10-21)15-6-5-14(18)11-19-15/h1-6,11H,7-10,18H2
| Identification Number: | 10.5258/ecrystals/647 |
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| Date Created: | 23 February 2009 |
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| Deposited On: | 09 Apr 2009 10:53 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C16 H17 F N4 O |
| Crystal morphology | Lath |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 15.8650(12) |
| Cell length b | 5.6205(4) |
| Cell length c | 16.4742(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 106.779(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.1116 |
| R Factor (All) | 0.1999 |
| Weighted R Factor (Obs) | 0.1760 |
| Weighted R Factor (All) | 0.2139 |
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/647)
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