Sample Originator: Richard J. Whitbya.
Data Collection: Simon J. Colesa and Michael B. Hursthousea
Structure Determination: Simon J. Colesa.
University of Southamptona
C31H43Cl3O2SiTi2
InChI=1/C21H35OSi.C5H6.C5H5.3ClH.O.2Ti/c1-20(2,3)23(5,6)22-18-13-21(4)12-16(18)15-9-7-8-14-10-11-17(21)19(14)15;2*1-2-4-5-3-1;;;;;;/h10,15-18H,7-9,11-13H2,1-6H3;1-4H,5H2;1-5H;3*1H;;;/q;;;;;;;+1;+2/p-3/t15-,16+,17-,18+,21+;;;;;;;;/m1......../s1
| Date Created: | 02 July 1998 |
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| Deposited On: | 23 Dec 2014 13:31 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C31 H43 Cl3 O2 Si Ti2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 11.0393(1) |
| Cell length b | 10.7750(1) |
| Cell length c | 27.2532(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.6060(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0534 |
| R Factor (All) | 0.0921 |
| Weighted R Factor (Obs) | 0.1310 |
| Weighted R Factor (All) | 0.1534 |
Citation: Whitby, Richard J. and Coles, Simon J. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/770/)
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