Sample Originator: Peter J. Hollimana.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Wales, Bangora
University of Southamptonb
C24H16N2O4
InChI=1/2C24H16N2O4/c2*1-29-23(27)17-7-3-15(4-8-17)21-11-19(13-25)20(14-26)12-22(21)16-5-9-18(10-6-16)24(28)30-2/h2*3-12H,1-2H3/q2*-2
Identification Number: | 10.5258/ecrystals/667 |
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Date Created: | 02 April 2009 |
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Deposited On: | 09 Apr 2009 10:22 |
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Deposited By: | Dr Samantha K Callear |
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Data collection parameters
Chemical formula | C24 H16 N2 O4 |
Crystal morphology | Block |
Crystal system | monoclinic |
Space group symbol | P2/n |
Cell length a | 22.6513(8) |
Cell length b | 7.5907(5) |
Cell length c | 22.7311(14) |
Cell angle alpha | 90.00 |
Cell angle beta | 101.110(3) |
Cell angle gamma | 90.00 |
Data collection temperature | 120(2) |
Refinement results
Solution figure of merit | |
R Factor (Obs) | 0.0763 |
R Factor (All) | 0.1392 |
Weighted R Factor (Obs) | 0.1921 |
Weighted R Factor (All) | 0.2287 |
Citation: Holliman, Peter J. and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/667)
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