Sample Originator: Paul (J.P) Bassina.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
University of Hertfordshirea
University of Southamptonb
C24H22N2O4S
InChI=1/2C24H22N2O4S/c2*1-15-9-10-20-19(11-15)25-18(16-7-5-4-6-8-16)13-21-17-12-22(29-2)23(30-3)14-24(17)31(27,28)26(20)21/h2*4-12,14,21H,13H2,1-3H3/t2*21-/m10/s1
| Controlled Keywords: | benzodiazepinic ligands |
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| Date Created: | 24 March 2003 |
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| Deposited On: | 16 Feb 2010 12:55 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C24 H22 N2 O4 S |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 11.9007(4) |
| Cell length b | 12.8521(4) |
| Cell length c | 14.6202(5) |
| Cell angle alpha | 109.852(2) |
| Cell angle beta | 90.743(2) |
| Cell angle gamma | 92.775(2) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0432 |
| R Factor (All) | 0.0679 |
| Weighted R Factor (Obs) | 0.1078 |
| Weighted R Factor (All) | 0.1202 |
Citation: Bassin, Paul (J.P) and Light, Mark E. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1212/)
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