Sample Originator: Simon J. Lancastera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of East Angliaa
University of Southamptonb
C29H35Cl3N2O3Ti
InChI=1/C17H20NO.C8H10NO.C4H8O.3ClH.Ti/c1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;1-7(10)9-8-5-3-2-4-6-8;1-2-4-5-3-1;;;;/h4-11,19H,12H2,1-3H3;2-7,9H,1H3;1-4H2;3*1H;/q2*-1;;;;;+6/p-4
| Controlled Keywords: | transition metals, titanium compounds |
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| Date Created: | 26 January 2005 |
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| Deposited On: | 17 Feb 2010 13:05 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
Data collection parameters
| Chemical formula | C29 H35 Cl3 N2 O3 Ti |
| Crystal morphology | Shard |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 7.6644(6) |
| Cell length b | 28.644(4) |
| Cell length c | 13.768(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 104.291(9) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0716 |
| R Factor (Obs) | 0.0443 |
| R Factor (All) | 0.0681 |
| Weighted R Factor (Obs) | 0.0920 |
| Weighted R Factor (All) | 0.1011 |
Citation: Lancaster, Simon J. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1135/)
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