Sample Originator: Ray C.F. Jonesa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Loughborough Universitya
University of Southamptonb
C18H20N4O2
InChI=1/C18H20N4O2/c1-2-24-18(23)16-14(10-19)15(11-20)17-21(8-9-22(16)17)12-13-6-4-3-5-7-13/h3-7,14-17H,2,8-9,12H2,1H3/t14-,15-,16+,17+/m1/s1
| Identification Number: | 10.5258/ecrystals/940 |
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| Controlled Keywords: | heterocycles |
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| Date Created: | 10 April 2002 |
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| Deposited On: | 14 Aug 2013 23:34 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C18 H20 N4 O2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 10.6683(3) |
| Cell length b | 10.8869(3) |
| Cell length c | 29.9190(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0472 |
| R Factor (Obs) | 0.0452 |
| R Factor (All) | 0.0844 |
| Weighted R Factor (Obs) | 0.0947 |
| Weighted R Factor (All) | 0.1103 |
Citation: Jones, Ray C.F. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/940)
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