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
C1-H7N3O
InChI=1/C10H7N3O/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-5H,12H2
| Identification Number: | 10.5258/ecrystals/710 |
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| Date Created: | 12 May 2009 |
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| Deposited On: | 15 Nov 2009 17:50 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H7 N3 O |
| Crystal morphology | |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 6.1704(4) |
| Cell length b | 7.1051(5) |
| Cell length c | 10.8713(6) |
| Cell angle alpha | 79.486(4) |
| Cell angle beta | 76.174(4) |
| Cell angle gamma | 67.853(3) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0463 |
| R Factor (All) | 0.0619 |
| Weighted R Factor (Obs) | 0.1123 |
| Weighted R Factor (All) | 0.1230 |
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/710)
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