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
C20H24N2O5
InChI=1/C20H22N2O4.H2O/c1-21-17(11-13-3-7-15(23)8-4-13)20(26)22(2)18(19(21)25)12-14-5-9-16(24)10-6-14;/h3-10,17-18,23-24H,11-12H2,1-2H3;1H2/t17-,18-;/m0./s1
| Controlled Keywords: | aromatic organic compounds, activity and mechanism of enzymes, radicals, amino acids |
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| Date Created: | 28 July 2004 |
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| Deposited On: | 23 Dec 2014 09:52 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C20 H24 N2 O5 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1) |
| Cell length a | 8.5936(18) |
| Cell length b | 7.2355(14) |
| Cell length c | 15.311(7) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 103.98(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0468 |
| R Factor (All) | 0.0573 |
| Weighted R Factor (Obs) | 0.1083 |
| Weighted R Factor (All) | 0.1134 |
Citation: Croft, Anna K. and Foley, Mark K. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/876/)
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