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
C14H17N5O
InChI=1/C14H17N5O/c1-17-7-2-4-12(17)13(20)18-8-10-19(11-9-18)14-15-5-3-6-16-14/h2-7H,8-11H2,1H3
| Identification Number: | 10.5258/ecrystals/636 |
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| Date Created: | 02 February 2009 |
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| Deposited On: | 09 Apr 2009 11:05 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C14 H17 N5 O |
| Crystal morphology | Lath |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 13.5783(7) |
| Cell length b | 8.2142(4) |
| Cell length c | 12.6554(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 103.051(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0868 |
| R Factor (All) | 0.1455 |
| Weighted R Factor (Obs) | 0.1533 |
| Weighted R Factor (All) | 0.1845 |
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/636)
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