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
C10H13N3O
InChI=1/C10H13N3O/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h7H,1-5,12H2
| Identification Number: | 10.5258/ecrystals/706 |
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| Date Created: | 27 April 2009 |
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| Deposited On: | 15 Nov 2009 18:42 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H13 N3 O |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 5.4433(2) |
| Cell length b | 6.1440(3) |
| Cell length c | 15.5205(7) |
| Cell angle alpha | 87.696(3) |
| Cell angle beta | 84.420(3) |
| Cell angle gamma | 70.454(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0591 |
| R Factor (All) | 0.0797 |
| Weighted R Factor (Obs) | 0.1184 |
| Weighted R Factor (All) | 0.1309 |
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/706)
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