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
C10H14N4O
InChI=1/C10H14N4O/c1-9(15)13-5-7-14(8-6-13)10-11-3-2-4-12-10/h2-4H,5-8H2,1H3
| Identification Number: | 10.5258/ecrystals/634 |
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| Date Created: | 02 February 2009 |
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| Deposited On: | 09 Apr 2009 11:06 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H14 N4 O |
| Crystal morphology | Block |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 15.1518(5) |
| Cell length b | 6.1889(2) |
| Cell length c | 11.2790(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 109.004(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0564 |
| R Factor (All) | 0.0780 |
| Weighted R Factor (Obs) | 0.1089 |
| Weighted R Factor (All) | 0.1216 |
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/634)
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