3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
Sample Originator: Anna K. Crofta and Mark K. Foleya. Data Collection: Peter N. Hortonb and Michael B. Hursthouseb Structure Determination: Peter N. Hortonb. University of Wales, Bangora
University of Southamptonb
C20H22N2O2 InChI=1/C20H22N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1 | Identification Number: | 10.5258/ecrystals/877 |
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| Controlled Keywords: | aromatic organic compounds, activity and mechanism of enzymes, radicals, amino acids |
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| Date Created: | 31 July 2003 |
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| Deposited On: | 14 Aug 2013 23:39 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters| Chemical formula | C20 H22 N2 O2 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 15.2187(13) | | Cell length b | 14.3684(10) | | Cell length c | 7.6880(6) | | Cell angle alpha | 90.00 | | Cell angle beta | 100.254(4) | | Cell angle gamma | 90.00 | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0519 | | R Factor (All) | 0.1231 | | Weighted R Factor (Obs) | 0.0974 | | Weighted R Factor (All) | 0.1187 |
Citation: Croft, Anna K. and Foley, Mark K. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/877)
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