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
C11H15N3O
InChI=1/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3
| Identification Number: | 10.5258/ecrystals/630 |
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| Date Created: | 13 January 2009 |
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| Deposited On: | 14 Apr 2009 19:34 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C11 H15 N3 O |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 9.2292(5) |
| Cell length b | 5.7759(3) |
| Cell length c | 19.7467(12) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 102.396(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0827 |
| R Factor (All) | 0.1355 |
| Weighted R Factor (Obs) | 0.1363 |
| Weighted R Factor (All) | 0.1620 |
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/630)
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